Activity Prediction

import pandas as pd
import rdkit
from rdkit import Chem
from rdkit.Chem import PandasTools

import os
from rdkit import RDConfig
import numpy as np
import pandas as pd
from sklearn.model_selection import train_test_split

pd.set_option('display.max.rows',None) # Full data display

df8 = pd.read_csv('mixx_from_fp.csv')

df8

	Target Name	activity	Binding db	SMILES	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	Replicase polyprotein 1ab	1600.000	36475694	O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)S(=O)(=O)F...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	Replicase polyprotein 1ab	180.000	36475694	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCl)CCN1c1ccc(Cl)...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
2	Replicase polyprotein 1ab	310.000	36475694	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CBr)CCN1c1ccc(Cl)...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
3	Replicase polyprotein 1ab	2800.000	36475694	C#CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
4	Replicase polyprotein 1ab	400.000	36475694	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1cc...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
5	Replicase polyprotein 1ab	5100.000	36475694	O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
6	Replicase polyprotein 1ab	92.000	36475694	CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
7	Replicase polyprotein 1ab	0.270	36475694	COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
8	Replicase polyprotein 1ab	530.000	36475694	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
9	Replicase polyprotein 1ab	670.000	36475694	O=c1c2ccccc2[se]n1-c1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
10	Replicase polyprotein 1ab	8.000	36475694	[2H][C@](C(=O)N[C@@H](C)c1ccc(F)cc1)(c1cccnc1)...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
11	Replicase polyprotein 1ab	30.000	36475694	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
12	Replicase polyprotein 1ab	10960.000	36475694	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
13	Replicase polyprotein 1ab	670.000	36475694	C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C(Cl)Cl)c1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
14	Replicase polyprotein 1ab	6600.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
15	Replicase polyprotein 1ab	26100.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
16	Replicase polyprotein 1ab	5800.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2F)N2C(=O)[C@@H](NC(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
17	Replicase polyprotein 1ab	9200.000	35549342	CC1(C)[C@H](C(=O)OCc2cccc(F)c2)N2C(=O)[C@@H](N...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
18	Replicase polyprotein 1ab	7400.000	35549342	CC1(C)[C@H](C(=O)OCc2ccc(F)cc2)N2C(=O)[C@@H](N...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
19	Replicase polyprotein 1ab	16900.000	35549342	CC1(C)[C@H](C(=O)OCc2cc(F)cc(F)c2)N2C(=O)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
20	Replicase polyprotein 1ab	3600.000	35549342	CC1(C)[C@H](C(=O)OCc2ccc(F)cc2F)N2C(=O)[C@@H](...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
21	Replicase polyprotein 1ab	1600.000	35549342	CC1(C)[C@H](C(=O)OCc2c(F)cc(F)cc2F)N2C(=O)[C@@...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
22	Replicase polyprotein 1ab	35300.000	35549342	CC1(C)[C@H](C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
23	Replicase polyprotein 1ab	13300.000	35549342	CC1(C)[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)N2C(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
24	Replicase polyprotein 1ab	31100.000	35549342	COc1ccc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
25	Replicase polyprotein 1ab	10200.000	35549342	CC1(C)[C@H](C(=O)OCc2ccc(C(F)(F)F)o2)N2C(=O)[C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
26	Replicase polyprotein 1ab	9000.000	35549342	Cc1cc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
27	Replicase polyprotein 1ab	7900.000	35549342	COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
28	Replicase polyprotein 1ab	5200.000	35549342	CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
29	Replicase polyprotein 1ab	3000.000	35549342	C#CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
30	Replicase polyprotein 1ab	9700.000	35549342	CC1(C)[C@H](C(=O)OCC#N)N2C(=O)[C@@H](NC(=O)COc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
31	Replicase polyprotein 1ab	6600.000	35549342	CC1(C)[C@H](C(=O)OCOc2ccccc2)N2C(=O)[C@@H](NC(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
32	Replicase polyprotein 1ab	45700.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
33	Replicase polyprotein 1ab	5300.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
34	Replicase polyprotein 1ab	2800.000	35549342	COc1ccc(OCC(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)OCc4...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
35	Replicase polyprotein 1ab	2300.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
36	Replicase polyprotein 1ab	4100.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
37	Replicase polyprotein 1ab	42100.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
38	Replicase polyprotein 1ab	700.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)C(Br)(Br)[C...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
39	Replicase polyprotein 1ab	10100.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](Br)[C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
40	Replicase polyprotein 1ab	24200.000	35549342	CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
41	Replicase polyprotein 1ab	600.000	35549342	CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
42	Replicase polyprotein 1ab	500.000	35549342	CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
43	Replicase polyprotein 1ab	22900.000	35549342	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
44	Replicase polyprotein 1ab	200.000	33891389	C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
45	Replicase polyprotein 1ab	280.000	33891389	C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
46	Replicase polyprotein 1ab	510.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
47	Replicase polyprotein 1ab	560.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
48	Replicase polyprotein 1ab	660.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
49	Replicase polyprotein 1ab	670.000	33891389	C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1c[nH]cn1)c1cc...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
50	Replicase polyprotein 1ab	810.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccno1)c1ccc(C...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
51	Replicase polyprotein 1ab	940.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
52	Replicase polyprotein 1ab	960.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1cc...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
53	Replicase polyprotein 1ab	1050.000	33891389	O=C(NCCCc1ccccc1)C(c1cccnc1)N(C(=O)c1ccco1)c1c...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
54	Replicase polyprotein 1ab	1480.000	33891389	O=C(NCC(c1ccccc1)c1ccccc1)C(c1cccnc1)N(C(=O)c1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
55	Replicase polyprotein 1ab	1810.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
56	Replicase polyprotein 1ab	1970.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc([...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
57	Replicase polyprotein 1ab	2140.000	33891389	CC(C)(C)CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
58	Replicase polyprotein 1ab	2390.000	33891389	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
59	Replicase polyprotein 1ab	2470.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccno1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
60	Replicase polyprotein 1ab	2510.000	33891389	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
61	Replicase polyprotein 1ab	2540.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
62	Replicase polyprotein 1ab	2680.000	33891389	O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
63	Replicase polyprotein 1ab	3860.000	33891389	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CC2)c2c...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
64	Replicase polyprotein 1ab	4100.000	33891389	O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
65	Replicase polyprotein 1ab	4930.000	33891389	CC(C)(C)NC(=O)C(c1cnccn1)N(C(=O)c1ccco1)c1ccc(...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
66	Replicase polyprotein 1ab	4970.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
67	Replicase polyprotein 1ab	5370.000	33891389	CC(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
68	Replicase polyprotein 1ab	5460.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(N...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
69	Replicase polyprotein 1ab	5700.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
70	Replicase polyprotein 1ab	5820.000	33891389	O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
71	Replicase polyprotein 1ab	7270.000	33891389	O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
72	Replicase polyprotein 1ab	7490.000	33891389	COc1ccc(NC(=O)C(c2cccnc2)N(C(=O)c2ccco2)c2ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
73	Replicase polyprotein 1ab	7810.000	33891389	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)Nc2ccc(F)c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
74	Replicase polyprotein 1ab	8130.000	33891389	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCn2nnc3cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
75	Replicase polyprotein 1ab	12090.000	33891389	O=C(NC1CC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
76	Replicase polyprotein 1ab	13240.000	33891389	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCc2ccccc2...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
77	Replicase polyprotein 1ab	21880.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
78	Replicase polyprotein 1ab	35100.000	33891389	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
79	Replicase polyprotein 1ab	21280.000	35688005	Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
80	Replicase polyprotein 1ab	300.000	35688005	O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
81	Replicase polyprotein 1ab	25020.000	35688005	Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/NC(=O)c3nonc3...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
82	Replicase polyprotein 1ab	17500.000	35688005	Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)c([N+](=O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
83	Replicase polyprotein 1ab	10760.000	35688005	Cc1c(NC(=S)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
84	Replicase polyprotein 1ab	8080.000	35688005	NC(=S)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
85	Replicase polyprotein 1ab	9690.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
86	Replicase polyprotein 1ab	10880.000	35688005	NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
87	Replicase polyprotein 1ab	17530.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
88	Replicase polyprotein 1ab	9090.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
89	Replicase polyprotein 1ab	4140.000	35688005	N#Cc1cc(-c2ccc(/C=N/NC(N)=S)o2)ccc1O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
90	Replicase polyprotein 1ab	5810.000	35688005	COc1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1OC	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
91	Replicase polyprotein 1ab	7090.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccncc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
92	Replicase polyprotein 1ab	8760.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(F)nc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
93	Replicase polyprotein 1ab	10400.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc3cccnc3c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
94	Replicase polyprotein 1ab	10300.000	35688005	NC(=S)N/N=C/c1ccc(-c2cnc3ccccc3c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
95	Replicase polyprotein 1ab	1550.000	35688005	NC(=S)N/N=C/c1ccc(Cc2ccccc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
96	Replicase polyprotein 1ab	4000.000	35688005	NC(=O)c1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
97	Replicase polyprotein 1ab	5390.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
98	Replicase polyprotein 1ab	4050.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccccc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
99	Replicase polyprotein 1ab	8140.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2F)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
100	Replicase polyprotein 1ab	4690.000	35688005	Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(N)=S)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
101	Replicase polyprotein 1ab	1570.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(O)c2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
102	Replicase polyprotein 1ab	32530.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
103	Replicase polyprotein 1ab	40590.000	35688005	NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2Cl)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
104	Replicase polyprotein 1ab	25390.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
105	Replicase polyprotein 1ab	10000.000	35688005	NC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
106	Replicase polyprotein 1ab	24560.000	35688005	NC(=S)N/N=C/c1cc(-c2ccc(C(=O)O)cc2)co1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
107	Replicase polyprotein 1ab	5780.000	35688005	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)s1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
108	Replicase polyprotein 1ab	5440.000	35688005	NC(=S)N/N=C/c1cccc(-c2ccc(C(=O)O)cc2)c1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
109	Replicase polyprotein 1ab	670.000	35688005	CC(C)(C)OC(=O)Nc1cccn(C(=O)N[C@@H](CC2CC2)C(=O...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
110	Replicase polyprotein 1ab	4130.000	35688005	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
111	Replicase polyprotein 1ab	15.000	35688005	CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CC...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
112	Replicase polyprotein 1ab	940.000	35688005	O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
113	Replicase polyprotein 1ab	2500.000	35688005	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
114	Replicase polyprotein 1ab	143.000	35709506	O=C(Sc1nncs1)c1cc2ccccc2[nH]1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
115	Replicase polyprotein 1ab	624.000	35709506	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
116	Replicase polyprotein 1ab	60.000	35709506	Cc1nnc(SC(=O)c2cccc3[nH]ccc23)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
117	Replicase polyprotein 1ab	72.000	35709506	Cc1nnc(SC(=O)c2ccc3[nH]ccc3c2)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
118	Replicase polyprotein 1ab	55.000	35709506	Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
119	Replicase polyprotein 1ab	159.000	35709506	Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
120	Replicase polyprotein 1ab	349.000	35709506	Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
121	Replicase polyprotein 1ab	91.000	35709506	CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
122	Replicase polyprotein 1ab	147.000	35709506	COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
123	Replicase polyprotein 1ab	1220.000	35709506	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
124	Replicase polyprotein 1ab	281.000	35709506	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)n1C(=O)c1cc2cccc...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
125	Replicase polyprotein 1ab	316.000	35709506	Cc1nnc(SC(=O)c2cc3ccccc3o2)s1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
126	Replicase polyprotein 1ab	481.000	35709506	Cc1nnc(SC(=O)c2ccc(Br)o2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
127	Replicase polyprotein 1ab	34.000	35709506	Cc1nnc(SC(=O)c2ccc(-c3ccccc3)o2)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
128	Replicase polyprotein 1ab	250.000	35709506	Cc1nnc(SC(=O)c2ccc(C#Cc3ccccc3)o2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
129	Replicase polyprotein 1ab	235.000	35709506	Cc1nnc(SC(=O)c2ccc(-c3ccccc3)[nH]2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
130	Replicase polyprotein 1ab	454.000	35709506	Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
131	Replicase polyprotein 1ab	11.000	35709506	O=C(Sc1ncccn1)c1cc2ccccc2[nH]1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
132	Replicase polyprotein 1ab	88.000	35709506	Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
133	Replicase polyprotein 1ab	2030.000	35709506	Cc1cc(C)nc(SC(=O)c2cc3ccccc3[nH]2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
134	Replicase polyprotein 1ab	18.000	35709506	O=C(Sc1ncccn1)c1ccc(-c2ccccc2)o1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
135	Replicase polyprotein 1ab	288.000	35709506	Cc1cc(C)nc(SC(=O)c2ccc(C#Cc3ccccc3)o2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
136	Replicase polyprotein 1ab	16.000	35709506	O=C(Sc1ncccn1)c1cc2ccccc2s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
137	Replicase polyprotein 1ab	14.000	35709506	O=C(Sc1ncccn1)c1ccc(-c2ccccc2)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
138	Replicase polyprotein 1ab	14.000	35709506	O=C(Sc1ncccn1)c1ccc(-c2ccc(Br)cc2)s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
139	Replicase polyprotein 1ab	21.000	35709506	O=C(Sc1ncccn1)c1ccc2ccccc2n1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
140	Replicase polyprotein 1ab	551.000	35709506	COc1ccc2cc([C@H](C)C(=O)Sc3ncccn3)ccc2c1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
141	Replicase polyprotein 1ab	117.000	35709506	O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
142	Replicase polyprotein 1ab	166.000	35709506	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
143	Replicase polyprotein 1ab	255.000	35709506	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccc(Br)cc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
144	Replicase polyprotein 1ab	190.000	35709506	O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
145	Replicase polyprotein 1ab	125.000	35709506	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
146	Replicase polyprotein 1ab	89.000	35709506	O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
147	Replicase polyprotein 1ab	313.000	35709506	O=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
148	Replicase polyprotein 1ab	34.000	35709506	O=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
149	Replicase polyprotein 1ab	2350.000	35709506	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
150	Replicase polyprotein 1ab	2080.000	35709506	O=C(NCCN1C(=O)C=CC1=O)c1cc2ccccc2[nH]1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
151	Replicase polyprotein 1ab	4030.000	35709506	S=C(SSC(=S)N1CCOCC1)N1CCOCC1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
152	Replicase polyprotein 1ab	19.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4c(F)n(C)nc4cc3Cl)n(Cc3...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
153	Replicase polyprotein 1ab	14.000	36105344	CCn1cc2cc(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
154	Replicase polyprotein 1ab	9.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(CC(F)F)nc4cc3Cl)n(C...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
155	Replicase polyprotein 1ab	5.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
156	Replicase polyprotein 1ab	10.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
157	Replicase polyprotein 1ab	15.000	36105344	Cn1cnc(Cn2c(=O)nc(NC3=CC4CCOC4C=C3Cl)n(Cc3cc(F...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
158	Replicase polyprotein 1ab	5.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
159	Replicase polyprotein 1ab	10.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
160	Replicase polyprotein 1ab	780.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3ccc...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
161	Replicase polyprotein 1ab	6.000	36105344	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
162	Replicase polyprotein 1ab	4.000	36105344	Cn1cc2cc(Nc3nc(=O)n(Cc4cc5ccsc5[nH]c4=O)c(=O)n...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
163	Replicase polyprotein 1ab	14.000	36105344	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
164	Replicase polyprotein 1ab	2.000	36105344	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
165	Replicase polyprotein 1ab	12.000	36105344	Cn1cc2cc(Nc3nc(=O)n(-c4cncc5c4COC5)c(=O)n3Cc3c...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
166	Replicase polyprotein 1ab	9.000	36105344	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
167	Replicase polyprotein 1ab	360.000	36105344	Cn1cc2cc(Nc3nc(=O)n(-c4cncc(C(F)(F)F)c4)c(=O)n...	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
168	Replicase polyprotein 1ab	100.000	36105344	Cn1cc2cc(Nc3nc(=O)n(Cc4cc(Cl)ccn4)c(=O)n3Cc3cc...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
169	Replicase polyprotein 1ab	140.000	36105344	CCNC(=O)Cn1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
170	Replicase polyprotein 1ab	260.000	36105344	Cc1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
171	Replicase polyprotein 1ab	19.000	35779291	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
172	Replicase polyprotein 1ab	11.000	35779291	C=C(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
173	Replicase polyprotein 1ab	4.800	35779291	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
174	Replicase polyprotein 1ab	5.200	35779291	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
175	Replicase polyprotein 1ab	150.000	35779291	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
176	Replicase polyprotein 1ab	60.000	35779291	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
177	Replicase polyprotein 1ab	36.000	35779291	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
178	Replicase polyprotein 1ab	13.000	35779291	CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
179	Replicase polyprotein 1ab	16.000	35779291	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
180	Replicase polyprotein 1ab	77.000	35779291	CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
181	Replicase polyprotein 1ab	49.000	35779291	CC(C)(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
182	Replicase polyprotein 1ab	350.000	35779291	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
183	Replicase polyprotein 1ab	8.400	35779291	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
184	Replicase polyprotein 1ab	650.000	35779291	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(Cl)c1)C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
185	Replicase polyprotein 1ab	530.000	35779291	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(Cl)c1)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
186	Replicase polyprotein 1ab	160.000	35779291	CC(C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)N[C@@H](C...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
187	Replicase polyprotein 1ab	52.000	35779291	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
188	Replicase polyprotein 1ab	66.000	35779291	CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
189	Replicase polyprotein 1ab	30.000	35779291	CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1C...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
190	Replicase polyprotein 1ab	8.500	35779291	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
191	Replicase polyprotein 1ab	15.000	35779291	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
192	Replicase polyprotein 1ab	33.000	35779291	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
193	Replicase polyprotein 1ab	60.000	35779291	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
194	Replicase polyprotein 1ab	47.000	35779291	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
195	Replicase polyprotein 1ab	105.000	35779291	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
196	Replicase polyprotein 1ab	9.300	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
197	Replicase polyprotein 1ab	40.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
198	Replicase polyprotein 1ab	360.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
199	Replicase polyprotein 1ab	620.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
200	Replicase polyprotein 1ab	75.000	35839690	CCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
201	Replicase polyprotein 1ab	370.000	35839690	CCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
202	Replicase polyprotein 1ab	720.000	35839690	CCCCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
203	Replicase polyprotein 1ab	120.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
204	Replicase polyprotein 1ab	23.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C(=...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
205	Replicase polyprotein 1ab	17.000	35839690	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
206	Replicase polyprotein 1ab	26.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
207	Replicase polyprotein 1ab	180.000	35839690	CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
208	Replicase polyprotein 1ab	150.000	35839690	CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
209	Replicase polyprotein 1ab	22.000	35839690	CC(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
210	Replicase polyprotein 1ab	45.000	35839690	CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
211	Replicase polyprotein 1ab	59.000	35839690	CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2[...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
212	Replicase polyprotein 1ab	97.000	35839690	C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC(C)(C)C)C(=O)N...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
213	Replicase polyprotein 1ab	120.000	35839690	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
214	Replicase polyprotein 1ab	720.000	35839690	CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
215	Replicase polyprotein 1ab	180.000	33191083	CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CCCCC2)C(=O)N[C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
216	Replicase polyprotein 1ab	2390.000	33191083	O=C(/C=C/c1ccccc1)N[C@H](CC1CCCCC1)C(=O)N[C@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
217	Replicase polyprotein 1ab	180.000	33191083	CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CC2)C(=O)N[C@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
218	Replicase polyprotein 1ab	124930.000	33191083	CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
219	Replicase polyprotein 1ab	1820.000	33191083	CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
220	Replicase polyprotein 1ab	15750.000	33191083	CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
221	Replicase polyprotein 1ab	9350.000	33191083	CCN(CC)C(=S)SSC(=S)N(CC)CC	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
222	Replicase polyprotein 1ab	21390.000	33191083	CCC(C)SSc1ncc[nH]1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
223	Replicase polyprotein 1ab	6410.000	33191083	O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
224	Replicase polyprotein 1ab	970.000	33191083	CSCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
225	Replicase polyprotein 1ab	450.000	33191083	CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
226	Replicase polyprotein 1ab	53.000	33191083	O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
227	Replicase polyprotein 1ab	40.000	33191083	O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](Cc1cccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
228	Replicase polyprotein 1ab	5730.000	33191083	CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
229	Replicase polyprotein 1ab	3900.000	33191083	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
230	Replicase polyprotein 1ab	10690.000	33191083	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
231	Replicase polyprotein 1ab	8600.000	33191083	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
232	Replicase polyprotein 1ab	3140.000	33191083	CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
233	Replicase polyprotein 1ab	2400.000	33191083	Cc1ccc(N)cc1C(=O)N[C@@H](C)c1cccc2ccccc12	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
234	Replicase polyprotein 1ab	5000.000	33191083	CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)c2cccc3ccccc23)c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
235	Replicase polyprotein 1ab	23500.000	33191083	Cc1ccccc1C(=O)NC(C)c1ccc2ccccc2c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
236	Replicase polyprotein 1ab	100700.000	33191083	COc1ccc(CNC(=O)C2CCN(Cc3cccc4ccccc34)CC2)cc1	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
237	Replicase polyprotein 1ab	8.000	36107752	O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
238	Replicase polyprotein 1ab	0.013	36107752	Cn1cnc(Cn2c(=O)[nH]/c(=N\c3cc4cn(C)nc4cc3Cl)n(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
239	Replicase polyprotein 1ab	0.440	36107752	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
240	Replicase polyprotein 1ab	0.440	36107752	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc3ccccc23)CC...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
241	Replicase polyprotein 1ab	0.790	36107752	O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
242	Replicase polyprotein 1ab	0.610	36107752	O=C(NCc1cccs1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
243	Replicase polyprotein 1ab	3.000	36107752	O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
244	Replicase polyprotein 1ab	0.350	36107752	O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
245	Replicase polyprotein 1ab	0.400	36107752	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
246	Replicase polyprotein 1ab	0.590	36107752	O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
247	Replicase polyprotein 1ab	0.480	36107752	O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
248	Replicase polyprotein 1ab	18.000	36107752	O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCc4ccccc4Cl)c3)c...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
249	Replicase polyprotein 1ab	4200.000	35839690	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
250	Replicase polyprotein 1ab	4.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
251	Replicase polyprotein 1ab	1700.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
252	Replicase polyprotein 1ab	7.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)(C)C)C(=O)NC(CC3CC...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
253	Replicase polyprotein 1ab	1200.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(O)cc1)C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
254	Replicase polyprotein 1ab	920.000	34798775	COc1ccc(OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
255	Replicase polyprotein 1ab	17.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
256	Replicase polyprotein 1ab	20.000	34798775	CCCCC(NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)NC(CC1CC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
257	Replicase polyprotein 1ab	20.000	34798775	CC(C)(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CC1C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
258	Replicase polyprotein 1ab	2300.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
259	Replicase polyprotein 1ab	60.000	34798775	CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
260	Replicase polyprotein 1ab	34.000	34798775	COc1cccc2[nH]c(C(=O)NC(CCC(C)C)C(=O)NC(CC3CCNC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
261	Replicase polyprotein 1ab	35.000	34798775	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)c...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
262	Replicase polyprotein 1ab	38.000	34798775	CC(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CC1CCNC...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
263	Replicase polyprotein 1ab	40.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1cccc(F...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
264	Replicase polyprotein 1ab	44.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC3CCCCC3)C(=O)NC(CC3CC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
265	Replicase polyprotein 1ab	45.000	34798775	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
266	Replicase polyprotein 1ab	47.000	34798775	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(Br)ccc2c1	active	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
267	Replicase polyprotein 1ab	50.000	34798775	O=C(Oc1cncc(Br)c1)c1ccco1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
268	Replicase polyprotein 1ab	51.000	34798775	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
269	Replicase polyprotein 1ab	53.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
270	Replicase polyprotein 1ab	53.000	34798775	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c1cc...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
271	Replicase polyprotein 1ab	53.000	34798775	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc2ccccc2s1	active	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
272	Replicase polyprotein 1ab	60.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccco1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
273	Replicase polyprotein 1ab	60.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc...	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
274	Replicase polyprotein 1ab	65.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
275	Replicase polyprotein 1ab	65.000	34798775	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
276	Replicase polyprotein 1ab	74.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
277	Replicase polyprotein 1ab	79.000	34798775	COc1ccc(C(=O)OCC(=O)C(CC2CCNC2=O)NC(=O)C(CC(C)...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
278	Replicase polyprotein 1ab	80.000	34798775	O=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
279	Replicase polyprotein 1ab	82.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
280	Replicase polyprotein 1ab	83.000	34798775	COc1cccc2[nH]c(C(=O)N(C)C(CC(C)C)C(=O)NC(CC3CC...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
281	Replicase polyprotein 1ab	86.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
282	Replicase polyprotein 1ab	87.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
283	Replicase polyprotein 1ab	500.000	34798775	O=C(Oc1cncc(Cl)c1)c1cccs1	active	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
284	Replicase polyprotein 1ab	89.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc2c(ccn2S(=O)(=O)c2cccc(...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
285	Replicase polyprotein 1ab	91.000	34798775	CC(C)(C)CC(NC(=O)C1CCCO1)C(=O)NC(CC1CCNC1=O)C(...	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
286	Replicase polyprotein 1ab	95.000	34798775	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2s1	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
287	Replicase polyprotein 1ab	97.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
288	Replicase polyprotein 1ab	98.000	34798775	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
289	Replicase polyprotein 1ab	103.000	34798775	COc1cccc2[nH]c(C(=O)NC(Cc3ccccc3)C(=O)NC(CC3CC...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
290	Replicase polyprotein 1ab	105.000	34798775	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)c...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
291	Replicase polyprotein 1ab	108.000	34798775	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2oc1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
292	Replicase polyprotein 1ab	400.000	34798775	CC(=O)O[Hg]c1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
293	Replicase polyprotein 1ab	112.000	34798775	CCOCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
294	Replicase polyprotein 1ab	122.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
295	Replicase polyprotein 1ab	124.000	34798775	O=C(Oc1cncc(Cl)c1)c1cccc2ccccc12	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
296	Replicase polyprotein 1ab	131.000	34798775	COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)C(CCC(C)C)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
297	Replicase polyprotein 1ab	140.000	34798775	CC(=O)N1Cc2ccccc2CC1C(=O)Oc1cncc(Cl)c1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
298	Replicase polyprotein 1ab	2200.000	34798775	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@...	active	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
299	Replicase polyprotein 1ab	164.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccncc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
300	Replicase polyprotein 1ab	453.000	34798775	CC1(C)C2CN(C(=O)c3ccc4ccccc4c3)[C@@H](C(=O)N[C...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
301	Replicase polyprotein 1ab	52.000	34798775	CC1(C)C2CN(C(=O)COc3ccc4ccccc4c3)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
302	Replicase polyprotein 1ab	17.000	34798775	CC1(C)C2CN(C(=O)CCc3cccc(F)c3)[C@@H](C(=O)N[C@...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
303	Replicase polyprotein 1ab	19.000	34798775	CC1(C)C2CN(C(=O)COc3cc(F)cc(F)c3)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
304	Replicase polyprotein 1ab	13.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(F)c(F)c3)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
305	Replicase polyprotein 1ab	15.000	34798775	COc1ccc(OCC(=O)N2CC3C([C@@H]2C(=O)N[C@H](C=O)C...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
306	Replicase polyprotein 1ab	43.000	34798775	CC1(C)C2CN(C(=O)COc3cccc(C(F)(F)F)c3)[C@@H](C(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
307	Replicase polyprotein 1ab	37.000	34798775	COc1ccc(OCC(=O)N2CC3C([C@@H]2C(=O)N[C@H](C=O)C...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
308	Replicase polyprotein 1ab	15.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(OC(F)(F)F)cc3)[C@@H](C...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
309	Replicase polyprotein 1ab	51.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(Cl)c(Br)c3)[C@@H](C(=O...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
310	Replicase polyprotein 1ab	13.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(Br)cc3Cl)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
311	Replicase polyprotein 1ab	19.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(Cl)cc3)[C@@H](C(=O)N[C...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
312	Replicase polyprotein 1ab	12.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(Cl)c(Cl)c3)[C@@H](C(=O...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
313	Replicase polyprotein 1ab	13.000	34798775	CC1(C)C2CN(C(=O)COc3ccc(Cl)cc3Cl)[C@@H](C(=O)N...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
314	Replicase polyprotein 1ab	749.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
315	Replicase polyprotein 1ab	153.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
316	Replicase polyprotein 1ab	299.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
317	Replicase polyprotein 1ab	526.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
318	Replicase polyprotein 1ab	196.000	34798775	COc1ccc(C=CC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
319	Replicase polyprotein 1ab	375.000	34798775	CN(C)c1ccc(C=CC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
320	Replicase polyprotein 1ab	7.600	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
321	Replicase polyprotein 1ab	17.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
322	Replicase polyprotein 1ab	7.600	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
323	Replicase polyprotein 1ab	378.000	34798775	CN(C)c1ccc(CCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H]...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
324	Replicase polyprotein 1ab	36.000	34798775	COc1ccc(OCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C=...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
325	Replicase polyprotein 1ab	69.000	34798775	COc1ccc(OC(C)C(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H]...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
326	Replicase polyprotein 1ab	94.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
327	Replicase polyprotein 1ab	9.200	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
328	Replicase polyprotein 1ab	35.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
329	Replicase polyprotein 1ab	17.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
330	Replicase polyprotein 1ab	30.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
331	Replicase polyprotein 1ab	20.000	34798775	Cc1cc(Cl)ccc1OCC(=O)N1CC2CCCC2[C@@H]1C(=O)N[C@...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
332	Replicase polyprotein 1ab	170.000	34798775	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2o1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
333	Replicase polyprotein 1ab	900.000	34798775	CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
334	Replicase polyprotein 1ab	710.000	34798775	O=C(C=Cc1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
335	Replicase polyprotein 1ab	182.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
336	Replicase polyprotein 1ab	186.000	34798775	CC(C)CC(NC(=O)C(NC(=O)c1ccncc1)C(C)C)C(=O)NC(C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
337	Replicase polyprotein 1ab	200.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
338	Replicase polyprotein 1ab	1000.000	34798775	CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
339	Replicase polyprotein 1ab	205.000	34798775	COc1cccc(OC)c1C(=O)OCC(=O)C(CC1CCNC1=O)NC(=O)C...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
340	Replicase polyprotein 1ab	208.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
341	Replicase polyprotein 1ab	200.000	34798775	Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
342	Replicase polyprotein 1ab	220.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
343	Replicase polyprotein 1ab	230.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc2cc[nH]c2c1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
344	Replicase polyprotein 1ab	230.000	34798775	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
345	Replicase polyprotein 1ab	1700.000	34798775	CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
346	Replicase polyprotein 1ab	240.000	34798775	O=C(C=Cc1ccccc1)N[C@@H](CC1CC1)C(=O)N[C@@H](C[...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
347	Replicase polyprotein 1ab	260.000	34798775	Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
348	Replicase polyprotein 1ab	270.000	34798775	CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1CC...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
349	Replicase polyprotein 1ab	270.000	34798775	O=C(Oc1cncc(Cl)c1)c1cscn1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
350	Replicase polyprotein 1ab	1700.000	34798775	CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
351	Replicase polyprotein 1ab	300.000	34798775	Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
352	Replicase polyprotein 1ab	330.000	34798775	CC(C)C[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
353	Replicase polyprotein 1ab	333.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccccc1[N+](=O)[O-]	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
354	Replicase polyprotein 1ab	340.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC1C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
355	Replicase polyprotein 1ab	340.000	34798775	COc1cccc(C(=O)Oc2cncc(Cl)c2)c1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
356	Replicase polyprotein 1ab	370.000	34798775	Cc1ccc(S(=O)(=O)N2C=CC3C=C(C(=O)Oc4cncc(Cl)c4)...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
357	Replicase polyprotein 1ab	390.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
358	Replicase polyprotein 1ab	70.000	34798775	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
359	Replicase polyprotein 1ab	400.000	34798775	CC(=O)n1ccc2cc(C(=O)Oc3cncc(Cl)c3)ccc21	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
360	Replicase polyprotein 1ab	2200.000	34798775	CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@@H]...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
361	Replicase polyprotein 1ab	650.000	34798775	O=c1c2ccccc2[se]n1CCO	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
362	Replicase polyprotein 1ab	410.000	34798775	O=C(O)Cn1[se]c2ccccc2c1=O	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
363	Replicase polyprotein 1ab	350.000	34798775	O=C(O)CCn1[se]c2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
364	Replicase polyprotein 1ab	130.000	34798775	O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
365	Replicase polyprotein 1ab	150.000	34798775	O=c1c2ccccc2[se]n1-c1cccc([N+](=O)[O-])c1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
366	Replicase polyprotein 1ab	260.000	34798775	O=c1c2ccccc2[se]n1-c1ccc([N+](=O)[O-])cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
367	Replicase polyprotein 1ab	240.000	34798775	O=c1c2ccccc2[se]n1CCN1CCOCC1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
368	Replicase polyprotein 1ab	330.000	34798775	CC(C)(C)OC(=O)NCn1[se]c2ccccc2c1=O	active	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
369	Replicase polyprotein 1ab	74.000	34798775	O=c1c2ccccc2[se]n1Cc1ccco1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
370	Replicase polyprotein 1ab	660.000	34798775	O=c1[nH]sc2ccccc12	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
371	Replicase polyprotein 1ab	780.000	34798775	Cn1sc2ccccc2c1=O	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
372	Replicase polyprotein 1ab	730.000	34798775	CCCn1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
373	Replicase polyprotein 1ab	410.000	34798775	O=c1c2ccccc2sn1CCO	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
374	Replicase polyprotein 1ab	480.000	34798775	CC(C)Cn1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
375	Replicase polyprotein 1ab	630.000	34798775	C=CCn1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
376	Replicase polyprotein 1ab	130.000	34798775	Nc1ccccc1-n1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
377	Replicase polyprotein 1ab	170.000	34798775	O=c1c2ccccc2sn1Cc1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
378	Replicase polyprotein 1ab	330.000	34798775	Cc1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
379	Replicase polyprotein 1ab	390.000	34798775	O=c1c2ccccc2sn1-c1ccc(Cl)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
380	Replicase polyprotein 1ab	110.000	34798775	O=c1c2ccccc2sn1Cc1ccco1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
381	Replicase polyprotein 1ab	410.000	34798775	O=c1c2ccccc2sn1CCCc1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
382	Replicase polyprotein 1ab	490.000	34798775	O=c1c2ccccc2sn1-c1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
383	Replicase polyprotein 1ab	360.000	34798775	COC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
384	Replicase polyprotein 1ab	230.000	34798775	CCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
385	Replicase polyprotein 1ab	910.000	34798775	CCCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
386	Replicase polyprotein 1ab	380.000	34798775	O=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
387	Replicase polyprotein 1ab	2300.000	34798775	CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
388	Replicase polyprotein 1ab	434.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc(Cl)cc1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
389	Replicase polyprotein 1ab	1100.000	34798775	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
390	Replicase polyprotein 1ab	450.000	34798775	CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
391	Replicase polyprotein 1ab	1200.000	34798775	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
392	Replicase polyprotein 1ab	500.000	34798775	CN(C)c1ccc(C=CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
393	Replicase polyprotein 1ab	500.000	34798775	O=C(Oc1cncc(Br)c1)c1cccs1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
394	Replicase polyprotein 1ab	500.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
395	Replicase polyprotein 1ab	508.000	34798775	CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
396	Replicase polyprotein 1ab	510.000	34798775	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H]...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
397	Replicase polyprotein 1ab	516.000	34798775	Clc1ccc(SSc2nnco2)cc1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
398	Replicase polyprotein 1ab	1000.000	34798775	CCOC(=O)/C=C/C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
399	Replicase polyprotein 1ab	600.000	34798775	CC[Hg]Sc1ccccc1C(=O)[O-]	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
400	Replicase polyprotein 1ab	600.000	34798775	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
401	Replicase polyprotein 1ab	650.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(N(C)C)c...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
402	Replicase polyprotein 1ab	3800.000	34798775	CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](C[C@@...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
403	Replicase polyprotein 1ab	670.000	34798775	CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
404	Replicase polyprotein 1ab	684.000	34798775	O=C(Oc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
405	Replicase polyprotein 1ab	684.000	34798775	Clc1ccc(SSc2ncccn2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
406	Replicase polyprotein 1ab	697.000	34798775	O=C(Oc1cncc(Cl)c1)c1cccnc1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
407	Replicase polyprotein 1ab	697.000	34798775	Brc1ccc(SSc2ncccn2)cc1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
408	Replicase polyprotein 1ab	700.000	34798775	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
409	Replicase polyprotein 1ab	700.000	34798775	COc1ncccc1-c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc3...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
410	Replicase polyprotein 1ab	750.000	34798775	COc1cccc(OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
411	Replicase polyprotein 1ab	820.000	34798775	CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](C=O)C[...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
412	Replicase polyprotein 1ab	883.000	34798775	O=[N+]([O-])c1ccccc1SSc1ncccn1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
413	Replicase polyprotein 1ab	900.000	34798775	O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(Cl)=C(Cl)Cl)...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
414	Replicase polyprotein 1ab	921.000	34798775	Cc1cc(C)nc(SSc2ccccc2[N+](=O)[O-])n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
415	Replicase polyprotein 1ab	950.000	34798775	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(I)cc21	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
416	Replicase polyprotein 1ab	970.000	34798775	CSCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
417	Replicase polyprotein 1ab	970.000	34798775	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2cccnc2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
418	Replicase polyprotein 1ab	980.000	34798775	O=C1C(=O)N(Cc2cc3ccccc3s2)c2c(Br)cccc21	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
419	Replicase polyprotein 1ab	1028.000	34798775	CC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(=O)COC(=O...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
420	Replicase polyprotein 1ab	1040.000	34798775	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
421	Replicase polyprotein 1ab	1690.000	34798775	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
422	Replicase polyprotein 1ab	1076.000	34798775	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)C...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
423	Replicase polyprotein 1ab	1080.000	34798775	CC(=O)n1ccc2c(C(=O)Oc3cncc(Cl)c3)cccc21	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
424	Replicase polyprotein 1ab	1100.000	34798775	O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(I)cc21	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
425	Replicase polyprotein 1ab	1118.000	34798775	COC(=O)c1ccccc1SSc1nnco1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
426	Replicase polyprotein 1ab	1121.000	34798775	Cc1cc(C)nc(SSc2ccc(Br)cc2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
427	Replicase polyprotein 1ab	1180.000	34798775	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
428	Replicase polyprotein 1ab	1250.000	34798775	Cc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
429	Replicase polyprotein 1ab	1264.000	34798775	COC(=O)c1ccccc1SSc1nc(C)co1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
430	Replicase polyprotein 1ab	1270.000	34798775	O=C(C=Cc1ccccc1)N[C@@H](CC1CCCC1)C(=O)N[C@@H](...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
431	Replicase polyprotein 1ab	7700.000	34798775	COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
432	Replicase polyprotein 1ab	2100.000	34798775	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
433	Replicase polyprotein 1ab	1437.000	34798775	Cc1cc(C)nc(SSc2ccc(Cl)cc2)n1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
434	Replicase polyprotein 1ab	1440.000	34798775	O=C(C=Cc1ccccc1)N[C@@H](CC1CCC1)C(=O)N[C@@H](C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
435	Replicase polyprotein 1ab	1460.000	34798775	CCCCCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(c...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
436	Replicase polyprotein 1ab	1495.000	34798775	Cc1ccc(SSc2nc(C)cc(C)n2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
437	Replicase polyprotein 1ab	1500.000	34798775	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NCc2ccccc2...	intermediate	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN
438	Replicase polyprotein 1ab	1500.000	34798775	CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
439	Replicase polyprotein 1ab	1500.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNc1ccccc1)C(C)...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
440	Replicase polyprotein 1ab	1506.000	34798775	CC(=O)Nc1cnc(SSc2ccccc2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
441	Replicase polyprotein 1ab	1522.000	34798775	Cc1ccc(SSc2ncccn2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
442	Replicase polyprotein 1ab	1557.000	34798775	CCOC(=O)c1ccccc1SSc1nnc(C)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
443	Replicase polyprotein 1ab	1651.000	34798775	CC(=O)Nc1cnc(SSc2ccc(Br)cc2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
444	Replicase polyprotein 1ab	1679.000	34798775	COC(=O)c1ccccc1SSc1nnc(C)o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
445	Replicase polyprotein 1ab	1700.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(C(=O)O)...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
446	Replicase polyprotein 1ab	1713.000	34798775	Cc1nnc(SSc2ccccc2[N+](=O)[O-])o1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
447	Replicase polyprotein 1ab	1762.000	34798775	CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1-c1cccnc1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
448	Replicase polyprotein 1ab	1871.000	34798775	Clc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
449	Replicase polyprotein 1ab	1700.000	34798775	COc1ccccc1OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
450	Replicase polyprotein 1ab	1947.000	34798775	CC(=O)Nc1cnc(SSc2ccccc2[N+](=O)[O-])s1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
451	Replicase polyprotein 1ab	1950.000	34798775	O=C(C=Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
452	Replicase polyprotein 1ab	1991.000	34798775	Cc1cc(C)nc(SSc2ccccc2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
453	Replicase polyprotein 1ab	2000.000	34798775	O=C1C(=O)N(Cc2cc3ccccc3s2)c2c1cccc2[N+](=O)[O-]	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
454	Replicase polyprotein 1ab	2000.000	34798775	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
455	Replicase polyprotein 1ab	2000.000	34798775	Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+]...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
456	Replicase polyprotein 1ab	2000.000	34798775	CC(O)C(NC(=O)CCC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
457	Replicase polyprotein 1ab	2000.000	34798775	CC(O)C(NC(=O)CC(O)C(=O)NC(C(=O)N[C@@H](Cc1cccc...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
458	Replicase polyprotein 1ab	2000.000	34798775	CC(O)C(NC(=O)C(O)C(O)C(=O)NC(C(=O)N[C@@H](Cc1c...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
459	Replicase polyprotein 1ab	2000.000	34798775	COc1c(Sc2nnnn2-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]c...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
460	Replicase polyprotein 1ab	2000.000	34798775	Cc1nc(C(=O)[C@@H](C[C@H]2CCNC2=O)NC(=O)[C@@H](...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
461	Replicase polyprotein 1ab	2029.000	34798775	O=[N+]([O-])c1ccccc1SSc1nccs1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
462	Replicase polyprotein 1ab	2075.000	34798775	COC(=O)c1nc(SSc2ccccc2[N+](=O)[O-])[nH]c1C	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
463	Replicase polyprotein 1ab	2100.000	34798775	CNc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
464	Replicase polyprotein 1ab	2150.000	34798775	Cn1sc(=O)n(Cc2ccccc2)c1=O	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
465	Replicase polyprotein 1ab	2200.000	34798775	CCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2c...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
466	Replicase polyprotein 1ab	2211.000	34798775	Fc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
467	Replicase polyprotein 1ab	2250.000	34798775	CC1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
468	Replicase polyprotein 1ab	2390.000	34798775	CC(C)(C)OC(=O)Nc1cccn(C(CC2CCCCC2)C(=O)NC(CC2C...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
469	Replicase polyprotein 1ab	2452.000	34798775	CCOC(=O)c1ccccc1SSc1nc(C)cs1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
470	Replicase polyprotein 1ab	2500.000	34798775	CC1=C(C(=O)OCCc2ccccc2)C(c2ccccc2[N+](=O)[O-])...	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
471	Replicase polyprotein 1ab	4400.000	34798775	O=[N+]([O-])C(Br)(CO)CO	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
472	Replicase polyprotein 1ab	2500.000	34798775	Clc1ccc(C2C(n3ccnc3)C(c3ccc(Br)cc3)=NN2c2ccc(C...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
473	Replicase polyprotein 1ab	2555.000	34798775	Cc1csc(SSc2ccccc2[N+](=O)[O-])n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
474	Replicase polyprotein 1ab	2565.000	34798775	CC(=O)Nc1cnc(SSc2ccc(F)cc2)s1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
475	Replicase polyprotein 1ab	2600.000	34798775	Nc1nc2nc3nc(N)sc3cc2s1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
476	Replicase polyprotein 1ab	2626.000	34798775	CC(=O)Nc1cnc(SSc2ccc(Cl)cc2)s1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
477	Replicase polyprotein 1ab	2630.000	34798775	O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
478	Replicase polyprotein 1ab	2700.000	34798775	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
479	Replicase polyprotein 1ab	2803.000	34798775	CC(=O)Nc1cnc(SSc2ccc(C)cc2)s1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
480	Replicase polyprotein 1ab	2820.000	34798775	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)C1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
481	Replicase polyprotein 1ab	2880.000	34798775	CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(COC3OCC(O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
482	Replicase polyprotein 1ab	2900.000	34798775	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
483	Replicase polyprotein 1ab	2900.000	34798775	CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
484	Replicase polyprotein 1ab	2900.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccnc1)C(C)...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
485	Replicase polyprotein 1ab	3000.000	34798775	O=C(Sc1nnc(C(F)(F)F)[nH]1)c1ccc(C#Cc2ccccc2)o1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
486	Replicase polyprotein 1ab	3000.000	34798775	O=C(CSc1nccc(-c2csc(-c3ccccc3)n2)n1)Nc1cc(Cl)c...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
487	Replicase polyprotein 1ab	3000.000	34798775	O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
488	Replicase polyprotein 1ab	3020.000	34798775	O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
489	Replicase polyprotein 1ab	5500.000	34798775	COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
490	Replicase polyprotein 1ab	3130.000	34798775	CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1C	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
491	Replicase polyprotein 1ab	3180.000	34798775	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2OC(=O...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
492	Replicase polyprotein 1ab	3290.000	34798775	C/C1=C2/[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
493	Replicase polyprotein 1ab	3300.000	34798775	COc1ccccc1N=Cc1nc(-c2ccccc2)oc1OC(C)=O	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
494	Replicase polyprotein 1ab	3321.000	34798775	Brc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
495	Replicase polyprotein 1ab	3400.000	34798775	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC1CCN...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
496	Replicase polyprotein 1ab	3400.000	34798775	COCCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C)c2cc...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
497	Replicase polyprotein 1ab	3400.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc([N+](=O...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
498	Replicase polyprotein 1ab	3600.000	34798775	CC(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc3...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
499	Replicase polyprotein 1ab	3675.000	34798775	CCOC(=O)c1c[nH]c(SSc2ccc(Cl)cc2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
500	Replicase polyprotein 1ab	3800.000	34798775	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
501	Replicase polyprotein 1ab	3957.000	34798775	COC(=O)c1ccccc1SSc1nc(C(=O)OC)c(C)[nH]1	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
502	Replicase polyprotein 1ab	4000.000	34798775	O=C(CC(SO)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
503	Replicase polyprotein 1ab	9900.000	34798775	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[...	intermediate	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
504	Replicase polyprotein 1ab	4100.000	34798775	O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
505	Replicase polyprotein 1ab	4100.000	34798775	CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
506	Replicase polyprotein 1ab	4100.000	34798775	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
507	Replicase polyprotein 1ab	4100.000	34798775	COc1ccc(SSc2nc(-c3ccccc3)n(C(C)=O)n2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
508	Replicase polyprotein 1ab	4126.000	34798775	COC(=O)c1nc(SSc2ccc(Cl)cc2)[nH]c1C	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
509	Replicase polyprotein 1ab	4183.000	34798775	CC(=O)n1nc(SSc2ccc(C)cc2)nc1-c1ccccc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
510	Replicase polyprotein 1ab	10300.000	34798775	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
511	Replicase polyprotein 1ab	4300.000	34798775	Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
512	Replicase polyprotein 1ab	4300.000	34798775	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
513	Replicase polyprotein 1ab	4450.000	34798775	O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
514	Replicase polyprotein 1ab	4511.000	34798775	CCOC(=O)c1ccccc1SSc1nc(-c2ccncc2)n(C(C)=O)n1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
515	Replicase polyprotein 1ab	4600.000	34798775	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
516	Replicase polyprotein 1ab	4600.000	34798775	COc1cc(C(=S)N2CCOCC2)ccc1O	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
517	Replicase polyprotein 1ab	4620.000	34798775	O=C1O[C@H]2C(O)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
518	Replicase polyprotein 1ab	4700.000	34798775	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2...	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
519	Replicase polyprotein 1ab	4820.000	34798775	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(F)cc21	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
520	Replicase polyprotein 1ab	5000.000	34798775	Cc1noc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)s2)c1[N...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
521	Replicase polyprotein 1ab	5200.000	34798775	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccc(Cl)o1)c1...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
522	Replicase polyprotein 1ab	5470.000	34798775	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC(=O)C=C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
523	Replicase polyprotein 1ab	5500.000	34798775	N#Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(=O)O)cc3...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
524	Replicase polyprotein 1ab	5520.000	34798775	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
525	Replicase polyprotein 1ab	10600.000	34798775	CCOc1cccc(C(=O)c2ccc(O)c(O)c2O)c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
526	Replicase polyprotein 1ab	5654.000	34798775	CCOC(=O)c1ccccc1SSc1nc(-c2cccnc2)n(C(C)=O)n1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
527	Replicase polyprotein 1ab	5700.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
528	Replicase polyprotein 1ab	5700.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
529	Replicase polyprotein 1ab	5730.000	34798775	CCCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC1...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
530	Replicase polyprotein 1ab	5794.000	34798775	COc1ccc(SSc2nc(-c3cccnc3)n(C(C)=O)n2)cc1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
531	Replicase polyprotein 1ab	5850.000	34798775	C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)...	intermediate	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN
532	Replicase polyprotein 1ab	3900.000	34798775	CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
533	Replicase polyprotein 1ab	5954.000	34798775	CCOC(=O)c1ccccc1SSc1nc(C(=O)OC)c(C)[nH]1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
534	Replicase polyprotein 1ab	5950.000	34798775	O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
535	Replicase polyprotein 1ab	14400.000	34798775	O=C(CCl)N1CCN(Cc2ccsc2)CC1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
536	Replicase polyprotein 1ab	4700.000	34798775	O=C(CCl)N1N=C(c2cccs2)CC1c1cccs1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
537	Replicase polyprotein 1ab	37500.000	34798775	O=C(CCl)N1CCc2sccc2C1c1cccs1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
538	Replicase polyprotein 1ab	55000.000	34798775	O=C(CCl)N1CCc2sccc2C1c1ccccc1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
539	Replicase polyprotein 1ab	46400.000	34798775	O=C(CCl)N1N=C(c2ccco2)CC1c1cccs1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
540	Replicase polyprotein 1ab	80900.000	34798775	O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
541	Replicase polyprotein 1ab	18200.000	34798775	COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
542	Replicase polyprotein 1ab	42100.000	34798775	N#Cc1ccc(C=C[N+](=O)[O-])cc1	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
543	Replicase polyprotein 1ab	47500.000	34798775	COc1ccc(C=C[N+](=O)[O-])cc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
544	Replicase polyprotein 1ab	45900.000	34798775	COc1cc(C=C[N+](=O)[O-])cc(OC)c1OC	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
545	Replicase polyprotein 1ab	14600.000	34798775	O=[N+]([O-])C=Cc1cccc(Br)c1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
546	Replicase polyprotein 1ab	142000.000	34798775	Cc1ccc(S(=O)(=O)C(C#N)=Cc2cccnc2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
547	Replicase polyprotein 1ab	2190.000	34798775	CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
548	Replicase polyprotein 1ab	4740.000	34798775	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
549	Replicase polyprotein 1ab	5360.000	34798775	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
550	Replicase polyprotein 1ab	7540.000	34798775	CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
551	Replicase polyprotein 1ab	320.000	34798775	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
552	Replicase polyprotein 1ab	25500.000	34798775	Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
553	Replicase polyprotein 1ab	17900.000	34798775	CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
554	Replicase polyprotein 1ab	39900.000	34798775	CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
555	Replicase polyprotein 1ab	7590.000	34798775	CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
556	Replicase polyprotein 1ab	14600.000	34798775	CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
557	Replicase polyprotein 1ab	5540.000	34798775	CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
558	Replicase polyprotein 1ab	14800.000	34798775	CN1C(=O)C(NC(=O)OCc2ccccc2)CCN1C#N	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
559	Replicase polyprotein 1ab	6570.000	34798775	CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
560	Replicase polyprotein 1ab	100000.000	34798775	CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
561	Replicase polyprotein 1ab	24500.000	34798775	N#CSc1nc2ccccc2c(=S)s1	intermediate	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
562	Replicase polyprotein 1ab	1450.000	34798775	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(C)N(C#N)CCC(N)=O	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
563	Replicase polyprotein 1ab	2330.000	34798775	CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)CCC...	intermediate	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
564	Replicase polyprotein 1ab	775.000	34798775	CC(C)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
565	Replicase polyprotein 1ab	236.000	34798775	CN(C(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccc...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
566	Replicase polyprotein 1ab	37.000	34798775	CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(...	active	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
567	Replicase polyprotein 1ab	38.000	34798775	CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1...	intermediate	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
568	Replicase polyprotein 1ab	1600.000	34798775	N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)c(Cl)c3)o2)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
569	Replicase polyprotein 1ab	19800.000	34798775	CC(=O)OCC1O[C@@H](CS[Au])[C@@H](OC(C)=O)C(OC(C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
570	Replicase polyprotein 1ab	22500.000	34798775	Cn1c(=O)c2c(nc3n(CC#Cc4ccc(Cl)c(Cl)c4)ccn23)n(...	active	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
571	Replicase polyprotein 1ab	21700.000	34798775	O=C(Oc1cncc(Cl)c1)c1c[nH]c2ccccc12	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
572	Replicase polyprotein 1ab	1930.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc2[nH]ccc2c1	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
573	Replicase polyprotein 1ab	227.000	34798775	O=C(Oc1cncc(Br)c1)c1cccc2[nH]ccc12	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
574	Replicase polyprotein 1ab	354.000	34798775	O=C(Oc1cncc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3	active	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
575	Replicase polyprotein 1ab	23.000	34798775	O=C(Oc1cncc(Cl)c1)c1cc2c(Cl)cc(Cl)cc2[nH]1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
576	Replicase polyprotein 1ab	6000.000	34798775	Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
577	Replicase polyprotein 1ab	6000.000	34798775	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C1=NC=NC1)c1cc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
578	Replicase polyprotein 1ab	6100.000	34798775	N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccc([N+](=O)[O-])c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
579	Replicase polyprotein 1ab	6200.000	34798775	CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2c...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
580	Replicase polyprotein 1ab	6270.000	34798775	O=C(C=Cc1ccccc1)N[C@H](C(=O)N[C@@H](C[C@@H]1CC...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
581	Replicase polyprotein 1ab	6500.000	34798775	Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
582	Replicase polyprotein 1ab	6680.000	34798775	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2O)C(O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
583	Replicase polyprotein 1ab	6800.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
584	Replicase polyprotein 1ab	6810.000	34798775	COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
585	Replicase polyprotein 1ab	6800.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
586	Replicase polyprotein 1ab	6860.000	34798775	COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4cccc(C(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
587	Replicase polyprotein 1ab	6900.000	34798775	CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
588	Replicase polyprotein 1ab	7000.000	34798775	COC(=O)c1cc2c(O)cc(C(F)(F)F)nc2o1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
589	Replicase polyprotein 1ab	7000.000	34798775	O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2c(=O...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
590	Replicase polyprotein 1ab	7000.000	34798775	O=C1C=CC(=O)c2cn(Cc3ccccc3)cc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
591	Replicase polyprotein 1ab	7000.000	34798775	Cc1c(C(=O)CC2OC(=O)C(Cl)=C2Cl)sc2ccc(Cl)cc12	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
592	Replicase polyprotein 1ab	7200.000	34798775	COc1cc(CS(=O)c2nc3cccnc3s2)oc(=O)c1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
593	Replicase polyprotein 1ab	7200.000	34798775	Cc1noc(C)c1CN1C(=O)C(=O)c2cc(C#N)ccc21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
594	Replicase polyprotein 1ab	24670.000	34798775	Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
595	Replicase polyprotein 1ab	14160.000	34798775	C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
596	Replicase polyprotein 1ab	31450.000	34798775	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
597	Replicase polyprotein 1ab	12460.000	34798775	CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
598	Replicase polyprotein 1ab	16140.000	34798775	N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
599	Replicase polyprotein 1ab	7500.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNCc1ccccc1)C(C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
600	Replicase polyprotein 1ab	7600.000	34798775	CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Sc1c(Cl)c(Cl)cc(Cl)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
601	Replicase polyprotein 1ab	7720.000	34798775	CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
602	Replicase polyprotein 1ab	7900.000	34798775	O=C(Oc1cccnc1)C1CCCO1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
603	Replicase polyprotein 1ab	7960.000	34798775	CC1=CC(=O)c2ccccc2C1=O	intermediate	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
604	Replicase polyprotein 1ab	3140.000	34798775	CCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
605	Replicase polyprotein 1ab	8000.000	34798775	CCCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
606	Replicase polyprotein 1ab	8100.000	34798775	CCCCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
607	Replicase polyprotein 1ab	8100.000	34798775	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
608	Replicase polyprotein 1ab	10000.000	34798775	C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
609	Replicase polyprotein 1ab	8300.000	34798775	O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
610	Replicase polyprotein 1ab	8400.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3cccc([N+](=O)[O-])c3)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
611	Replicase polyprotein 1ab	8400.000	34798775	CCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2)n...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
612	Replicase polyprotein 1ab	8500.000	34798775	CCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C@@...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
613	Replicase polyprotein 1ab	10130.000	34798775	S=C=NCCc1ccccc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
614	Replicase polyprotein 1ab	9000.000	34798775	CCOc1ccc(C(=O)c2ccc(O)c(O)c2O)cc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
615	Replicase polyprotein 1ab	9090.000	34798775	O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
616	Replicase polyprotein 1ab	25000.000	34798775	O=C1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
617	Replicase polyprotein 1ab	9100.000	34798775	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
618	Replicase polyprotein 1ab	9190.000	34798775	O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
619	Replicase polyprotein 1ab	9200.000	34798775	CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H](NCc2ccccc2...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
620	Replicase polyprotein 1ab	9200.000	34798775	O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
621	Replicase polyprotein 1ab	9400.000	34798775	O=C1C(=O)N(Cc2ccc(F)cc2Cl)c2ccc(I)cc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
622	Replicase polyprotein 1ab	9500.000	34798775	O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
623	Replicase polyprotein 1ab	9560.000	34798775	COc1ccc(C(c2c(O)c3cc(C)ccc3oc2=O)c2c(O)c3cc(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
624	Replicase polyprotein 1ab	9680.000	34798775	C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe](Cl)n3c(c(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
625	Replicase polyprotein 1ab	9800.000	34798775	COc1ccc2c(c1)CCC1C2=NN(C(C)=O)C1c1cccc(I)c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
626	Replicase polyprotein 1ab	9840.000	34798775	NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
627	Replicase polyprotein 1ab	9910.000	34798775	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
628	Replicase polyprotein 1ab	9960.000	34798775	O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
629	Replicase polyprotein 1ab	10000.000	34798775	Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
630	Replicase polyprotein 1ab	10000.000	34798775	CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H]...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
631	Replicase polyprotein 1ab	10000.000	34798775	Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)[nH]n1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
632	Replicase polyprotein 1ab	10000.000	34798775	CC(C)(C)NC(=O)C(c1ccnnc1)N(C(=O)c1ccco1)c1ccc(...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
633	Replicase polyprotein 1ab	10000.000	34798775	Cn1nc(-c2ccc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)s...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
634	Replicase polyprotein 1ab	10000.000	34798775	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
635	Replicase polyprotein 1ab	10000.000	34798775	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
636	Replicase polyprotein 1ab	10000.000	34798775	O=c1[nH]c2ccccc2c(O)c1Sc1nnnn1-c1ccc(OCc2ccccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
637	Replicase polyprotein 1ab	10000.000	34798775	O=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1Sc1nnnn1-c1ccc(O...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
638	Replicase polyprotein 1ab	10070.000	34798775	O=C1Nc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
639	Replicase polyprotein 1ab	10170.000	34798775	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C=Cc3cc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
640	Replicase polyprotein 1ab	10200.000	34798775	CCCN1C(=O)C(=O)c2cc(C(N)=O)ccc21	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
641	Replicase polyprotein 1ab	10300.000	34798775	CC(C)COC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3cccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
642	Replicase polyprotein 1ab	10380.000	34798775	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
643	Replicase polyprotein 1ab	10690.000	34798775	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
644	Replicase polyprotein 1ab	10600.000	34798775	N#Cc1c(-c2cccc([N+](=O)[O-])c2)nc(SCc2ccc([N+]...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
645	Replicase polyprotein 1ab	10680.000	34798775	C#CC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C@@...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
646	Replicase polyprotein 1ab	10800.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2cccc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
647	Replicase polyprotein 1ab	11000.000	34798775	CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
648	Replicase polyprotein 1ab	11000.000	34798775	CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
649	Replicase polyprotein 1ab	11000.000	34798775	CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)C(C(=O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
650	Replicase polyprotein 1ab	11040.000	34798775	C=CCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
651	Replicase polyprotein 1ab	11200.000	34798775	O=C1C(=O)N(Cc2cc3ccccc3s2)c2cccc(Cl)c21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
652	Replicase polyprotein 1ab	11390.000	34798775	CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
653	Replicase polyprotein 1ab	11830.000	34798775	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
654	Replicase polyprotein 1ab	12000.000	34798775	O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(C...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
655	Replicase polyprotein 1ab	12000.000	34798775	COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(=O)O)cc3)C2...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
656	Replicase polyprotein 1ab	12000.000	34798775	CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
657	Replicase polyprotein 1ab	12500.000	34798775	COc1ncc(-c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
658	Replicase polyprotein 1ab	12500.000	34798775	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
659	Replicase polyprotein 1ab	12570.000	34798775	O=C(Nc1ccc(Cl)cc1)c1ccc(CN2C(=O)C(=O)c3cc(I)cc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
660	Replicase polyprotein 1ab	12660.000	34798775	O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
661	Replicase polyprotein 1ab	13000.000	34798775	CCOC(=O)C=CC(Cc1ccccc1)NC(=O)C(CC(=O)C(NC(=O)c...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
662	Replicase polyprotein 1ab	13000.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
663	Replicase polyprotein 1ab	13000.000	34798775	O=C(Cc1cncc(Br)c1)c1ccc(-c2ccc(Cl)cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
664	Replicase polyprotein 1ab	13000.000	34798775	Cc1ccc(S(=O)(=O)c2nc(C)c([N+](=O)[O-])c(C)c2C#...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
665	Replicase polyprotein 1ab	13000.000	34798775	Cc1nc(S(=O)(=O)c2ccccc2)c(C#N)c(C)c1[N+](=O)[O-]	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
666	Replicase polyprotein 1ab	13000.000	34798775	C=C(Cc1cccc(C)c1)C1=CC=C(c2ccc(C)cc2)C1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
667	Replicase polyprotein 1ab	13110.000	34798775	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccccc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
668	Replicase polyprotein 1ab	13300.000	34798775	CC(C)(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
669	Replicase polyprotein 1ab	13320.000	34798775	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
670	Replicase polyprotein 1ab	13330.000	34798775	CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
671	Replicase polyprotein 1ab	13500.000	34798775	O=C1C(=O)N(CC2COc3ccccc3O2)c2ccc(I)cc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
672	Replicase polyprotein 1ab	13600.000	34798775	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
673	Replicase polyprotein 1ab	13700.000	34798775	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
674	Replicase polyprotein 1ab	13740.000	34798775	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
675	Replicase polyprotein 1ab	13900.000	34798775	Nc1ncnc2[nH]c(C(F)(F)F)nc12	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
676	Replicase polyprotein 1ab	13900.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2cccc...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
677	Replicase polyprotein 1ab	13860.000	34798775	O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
678	Replicase polyprotein 1ab	13860.000	34798775	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(CCc4ccccc4)CC...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
679	Replicase polyprotein 1ab	14000.000	34798775	O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
680	Replicase polyprotein 1ab	14000.000	34798775	Cc1csc(-c2nc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)c...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
681	Replicase polyprotein 1ab	14400.000	34798775	Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
682	Replicase polyprotein 1ab	15000.000	34798775	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
683	Replicase polyprotein 1ab	15000.000	34798775	CSc1[nH]nc(NC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
684	Replicase polyprotein 1ab	15000.000	34798775	O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)[n+]([...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
685	Replicase polyprotein 1ab	15000.000	34798775	CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(Cl)cc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
686	Replicase polyprotein 1ab	15000.000	34798775	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
687	Replicase polyprotein 1ab	15000.000	34798775	O=C(CSc1nccc(-c2cc(-c3ccccc3)no2)n1)Nc1ccc(Cl)cc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
688	Replicase polyprotein 1ab	15000.000	34798775	O=C(CSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1)Nc1c...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
689	Replicase polyprotein 1ab	15000.000	34798775	O=C(CSc1nccc(-c2cc(-c3ccccc3Cl)no2)n1)Nc1ccc(C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
690	Replicase polyprotein 1ab	15250.000	34798775	CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
691	Replicase polyprotein 1ab	15500.000	34798775	O=C(ON1C(=O)CCC1=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
692	Replicase polyprotein 1ab	15750.000	34798775	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
693	Replicase polyprotein 1ab	16000.000	34798775	CC1(C)CC(=O)c2c(NCc3ccco3)sc(C#N)c2C1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
694	Replicase polyprotein 1ab	16000.000	34798775	O=C(O)c1ccc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
695	Replicase polyprotein 1ab	16000.000	34798775	CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)c2ccc(/N=C/C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
696	Replicase polyprotein 1ab	16000.000	34798775	CC(=O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
697	Replicase polyprotein 1ab	16900.000	34798775	N#Cc1c(-c2ccc(Cl)cc2)nc(SCCc2ccccc2)[nH]c1=O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
698	Replicase polyprotein 1ab	17100.000	34798775	CC1=CC(=O)c2c(O)cccc2C1=O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
699	Replicase polyprotein 1ab	17200.000	34798775	Cc1cc2cc(CN(CCc3ccccc3C)C(=O)NCc3ccccc3)c(=O)[...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
700	Replicase polyprotein 1ab	17380.000	34798775	CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc([N+](=O)[O-])o...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
701	Replicase polyprotein 1ab	17500.000	34798775	O=C1C(=O)N(Cc2ccc(C(=O)N3CCCCC3)s2)c2ccc(I)cc21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
702	Replicase polyprotein 1ab	17800.000	34798775	CCCCN1C(=O)C(=O)c2cc(C(N)=O)ccc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
703	Replicase polyprotein 1ab	17820.000	34798775	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc3...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
704	Replicase polyprotein 1ab	17930.000	34798775	O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
705	Replicase polyprotein 1ab	18000.000	34798775	CSc1nn(-c2c([N+](=O)[O-])c(C)nn2C)c(-c2cccs2)c...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
706	Replicase polyprotein 1ab	18000.000	34798775	O=S(=O)(Cc1[nH]c(-c2ccc(Cl)s2)c[s+]1)c1cccs1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
707	Replicase polyprotein 1ab	18000.000	34798775	CCOC(=O)C1OC1C(=O)N(CCC(N)=O)NC(=O)[C@H](Cc1cc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
708	Replicase polyprotein 1ab	18000.000	34798775	O=S(=O)(Cc1nc(-c2ccc(Cl)s2)cs1)c1cccs1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
709	Replicase polyprotein 1ab	18000.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
710	Replicase polyprotein 1ab	18020.000	34798775	CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
711	Replicase polyprotein 1ab	18200.000	34798775	Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
712	Replicase polyprotein 1ab	18200.000	34798775	O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
713	Replicase polyprotein 1ab	18280.000	34798775	O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
714	Replicase polyprotein 1ab	19180.000	34798775	Cc1cc(OC(CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)c...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
715	Replicase polyprotein 1ab	20000.000	34798775	O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
716	Replicase polyprotein 1ab	20000.000	34798775	Cc1nn(C)c(NCc2ccc(-c3cccs3)s2)c1[N+](=O)[O-]	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
717	Replicase polyprotein 1ab	20000.000	34798775	O=C(NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
718	Replicase polyprotein 1ab	20300.000	34798775	COc1ccc(-c2nc(SCCc3ccccc3)[nH]c(=O)c2C#N)cc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
719	Replicase polyprotein 1ab	20770.000	34798775	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
720	Replicase polyprotein 1ab	21100.000	34798775	CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
721	Replicase polyprotein 1ab	21490.000	34798775	COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
722	Replicase polyprotein 1ab	21520.000	34798775	Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
723	Replicase polyprotein 1ab	21520.000	34798775	O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
724	Replicase polyprotein 1ab	21520.000	34798775	O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
725	Replicase polyprotein 1ab	21520.000	34798775	CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
726	Replicase polyprotein 1ab	21700.000	34798775	Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
727	Replicase polyprotein 1ab	22100.000	34798775	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
728	Replicase polyprotein 1ab	22270.000	34798775	Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
729	Replicase polyprotein 1ab	24800.000	34798775	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)CO	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
730	Replicase polyprotein 1ab	22500.000	34798775	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
731	Replicase polyprotein 1ab	23000.000	34798775	C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
732	Replicase polyprotein 1ab	23000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
733	Replicase polyprotein 1ab	23500.000	34798775	O=C1C(=O)N(C/C=C/c2cc3ccccc3s2)c2ccc(I)cc21	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
734	Replicase polyprotein 1ab	23500.000	34798775	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
735	Replicase polyprotein 1ab	23540.000	34798775	CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
736	Replicase polyprotein 1ab	23800.000	34798775	O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
737	Replicase polyprotein 1ab	24000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
738	Replicase polyprotein 1ab	24000.000	34798775	COc1ccc(C=CC(=O)NC(CC(C)C)C(=O)N[C@H](Cc2ccccc...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
739	Replicase polyprotein 1ab	24000.000	34798775	CC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
740	Replicase polyprotein 1ab	24140.000	34798775	CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
741	Replicase polyprotein 1ab	24150.000	34798775	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
742	Replicase polyprotein 1ab	24150.000	34798775	CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
743	Replicase polyprotein 1ab	24300.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
744	Replicase polyprotein 1ab	24330.000	34798775	COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
745	Replicase polyprotein 1ab	24900.000	34798775	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(-c3cccc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
746	Replicase polyprotein 1ab	24970.000	34798775	Cc1[nH]c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
747	Replicase polyprotein 1ab	25000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
748	Replicase polyprotein 1ab	25000.000	34798775	Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cc...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
749	Replicase polyprotein 1ab	25000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
750	Replicase polyprotein 1ab	25000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
751	Replicase polyprotein 1ab	25000.000	34798775	O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
752	Replicase polyprotein 1ab	25300.000	34798775	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
753	Replicase polyprotein 1ab	26000.000	34798775	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
754	Replicase polyprotein 1ab	26300.000	34798775	COc1ccc(-c2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
755	Replicase polyprotein 1ab	27100.000	34798775	CCCCCCCc1ccc(CCc2cccc(O)c2C(=O)O)cc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
756	Replicase polyprotein 1ab	27770.000	34798775	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
757	Replicase polyprotein 1ab	28000.000	34798775	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
758	Replicase polyprotein 1ab	28000.000	34798775	O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)c1cncc(Br)c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
759	Replicase polyprotein 1ab	28100.000	34798775	CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
760	Replicase polyprotein 1ab	28850.000	34798775	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
761	Replicase polyprotein 1ab	30000.000	34798775	CCCc1cc(O)nc(SCC(=O)Nc2ccc(Cl)cc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
762	Replicase polyprotein 1ab	31620.000	34798775	O=c1c(OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
763	Replicase polyprotein 1ab	31710.000	34798775	O=C1Nc2ccc(S(=O)(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cc...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
764	Replicase polyprotein 1ab	32000.000	34798775	CCOC(=O)C(=CNc1ccc(S(=O)(=O)c2ccc(/N=C/C(C(=O)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
765	Replicase polyprotein 1ab	32080.000	34798775	COc1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)C(=O)N4...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
766	Replicase polyprotein 1ab	32000.000	34798775	COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
767	Replicase polyprotein 1ab	34910.000	34798775	O=C1Nc2ccc(S(=O)(=O)N3CCN(CCc4ccccc4)CC3)cc2C1=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
768	Replicase polyprotein 1ab	35000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
769	Replicase polyprotein 1ab	35200.000	34798775	N#Cc1c(-c2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
770	Replicase polyprotein 1ab	36000.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccc([N+](=O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
771	Replicase polyprotein 1ab	38400.000	34798775	COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
772	Replicase polyprotein 1ab	37000.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
773	Replicase polyprotein 1ab	38570.000	34798775	Cc1ccc(C(=O)NC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
774	Replicase polyprotein 1ab	39000.000	34798775	CCOC(=O)C=CC(Cc1ccccc1)NC(=O)C(Cc1ccc(F)cc1)NC...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
775	Replicase polyprotein 1ab	39000.000	34798775	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
776	Replicase polyprotein 1ab	39000.000	34798775	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
777	Replicase polyprotein 1ab	38700.000	34798775	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
778	Replicase polyprotein 1ab	39200.000	34798775	NC(=O)Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
779	Replicase polyprotein 1ab	39480.000	34798775	O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
780	Replicase polyprotein 1ab	39870.000	34798775	O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(S(=O)(=O)N3CC...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
781	Replicase polyprotein 1ab	40000.000	34798775	O=C(Cc1nccs1)c1nccs1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
782	Replicase polyprotein 1ab	40000.000	34798775	CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)C(F)(F)F	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
783	Replicase polyprotein 1ab	40000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
784	Replicase polyprotein 1ab	40000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
785	Replicase polyprotein 1ab	40000.000	34798775	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
786	Replicase polyprotein 1ab	40000.000	34798775	COc1cccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[n...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
787	Replicase polyprotein 1ab	40000.000	34798775	CC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
788	Replicase polyprotein 1ab	40000.000	34798775	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
789	Replicase polyprotein 1ab	41390.000	34798775	Cc1ccc(C(=O)NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
790	Replicase polyprotein 1ab	41800.000	34798775	CCCCN1C(=O)C(=O)c2cc(I)ccc21	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
791	Replicase polyprotein 1ab	42000.000	34798775	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
792	Replicase polyprotein 1ab	42190.000	34798775	O=C(NC(Nc1ccccc1)C(=O)O)C(=CC=Cc1ccccc1)NC(=O)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
793	Replicase polyprotein 1ab	42790.000	34798775	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)o...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
794	Replicase polyprotein 1ab	45000.000	34798775	CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
795	Replicase polyprotein 1ab	45000.000	34798775	COc1ccc(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)cc1OC	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
796	Replicase polyprotein 1ab	46000.000	34798775	CCOC(=O)c1cc(=O)oc2cc(O)c(O)cc12	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
797	Replicase polyprotein 1ab	47000.000	34798775	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ncco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
798	Replicase polyprotein 1ab	48000.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
799	Replicase polyprotein 1ab	49000.000	34798775	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
800	Replicase polyprotein 1ab	49000.000	34798775	Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
801	Replicase polyprotein 1ab	49600.000	34798775	CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
802	Replicase polyprotein 1ab	49960.000	34798775	CC(=O)CCC(=O)N1N=C(c2c(O)nc3ccc(C)cc3c2-c2cccc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
803	Replicase polyprotein 1ab	50000.000	34798775	O=C1C(=O)N(Cc2ccccc2)c2ccc(I)cc21	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
804	Replicase polyprotein 1ab	50000.000	34798775	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccs1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
805	Replicase polyprotein 1ab	51330.000	34798775	O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
806	Replicase polyprotein 1ab	53000.000	34798775	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
807	Replicase polyprotein 1ab	56000.000	34798775	O=c1c(O)cc(C2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(C3Oc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
808	Replicase polyprotein 1ab	56240.000	34798775	Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c(Br)c1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
809	Replicase polyprotein 1ab	57000.000	34798775	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
810	Replicase polyprotein 1ab	57000.000	34798775	O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)(F)c1cncc(Br)c1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
811	Replicase polyprotein 1ab	58350.000	34798775	Nc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
812	Replicase polyprotein 1ab	60000.000	34798775	COc1cccc(-c2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
813	Replicase polyprotein 1ab	60000.000	34798775	CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
814	Replicase polyprotein 1ab	61460.000	34798775	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)o...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
815	Replicase polyprotein 1ab	62000.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
816	Replicase polyprotein 1ab	63000.000	34798775	O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
817	Replicase polyprotein 1ab	62790.000	34798775	COc1cc(C2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
818	Replicase polyprotein 1ab	64000.000	34798775	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
819	Replicase polyprotein 1ab	67200.000	34798775	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
820	Replicase polyprotein 1ab	68000.000	34798775	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
821	Replicase polyprotein 1ab	70000.000	34798775	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
822	Replicase polyprotein 1ab	70000.000	34798775	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
823	Replicase polyprotein 1ab	71000.000	34798775	CN1C(=O)C(=O)c2cc(C(N)=O)ccc21	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
824	Replicase polyprotein 1ab	72300.000	34798775	COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(O)cc...	inactive	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
825	Replicase polyprotein 1ab	75000.000	34798775	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
826	Replicase polyprotein 1ab	75000.000	34798775	O=C(Cc1cncc(Br)c1)c1cnc(-c2ccc(Cl)cc2)o1	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
827	Replicase polyprotein 1ab	75000.000	34798775	Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NC(C)(...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
828	Replicase polyprotein 1ab	76740.000	34798775	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
829	Replicase polyprotein 1ab	77090.000	34798775	COc1cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)cc...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
830	Replicase polyprotein 1ab	80000.000	34798775	CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
831	Replicase polyprotein 1ab	80000.000	34798775	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
832	Replicase polyprotein 1ab	80460.000	34798775	COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1=Cc1ccc(OCC(=...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
833	Replicase polyprotein 1ab	82910.000	34798775	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc3...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
834	Replicase polyprotein 1ab	85000.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)Oc1ccccc1)C(C)C...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
835	Replicase polyprotein 1ab	89100.000	34798775	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
836	Replicase polyprotein 1ab	90720.000	34798775	O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)NC...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
837	Replicase polyprotein 1ab	95000.000	34798775	CCCCN(C)C[C@H]1O[C@H](CN[C@H](C=O)Cc2c[nH]cn2)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
838	Replicase polyprotein 1ab	100000.000	34798775	Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
839	Replicase polyprotein 1ab	100000.000	34798775	Cn1c(=O)c2c(ncn2C)n(C)c1=O	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
840	Replicase polyprotein 1ab	100000.000	34798775	Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
841	Replicase polyprotein 1ab	100000.000	34798775	O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
842	Replicase polyprotein 1ab	100000.000	34798775	O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1c...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
843	Replicase polyprotein 1ab	100000.000	34798775	Cn1c(=O)c2[nH]cnc2n(C)c1=O	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
844	Replicase polyprotein 1ab	100000.000	34798775	Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
845	Replicase polyprotein 1ab	101380.000	34798775	Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2c...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
846	Replicase polyprotein 1ab	108000.000	34798775	O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
847	Replicase polyprotein 1ab	128900.000	34798775	CC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(CO)CCC[...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
848	Replicase polyprotein 1ab	135000.000	34798775	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
849	Replicase polyprotein 1ab	135000.000	34798775	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
850	Replicase polyprotein 1ab	137700.000	34798775	C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCC(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
851	Replicase polyprotein 1ab	163200.000	34798775	CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C=O)[C@@...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
852	Replicase polyprotein 1ab	175000.000	34798775	O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@H]2CCCC[C@@H]...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
853	Replicase polyprotein 1ab	189100.000	34798775	CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
854	Replicase polyprotein 1ab	200000.000	34798775	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
855	Replicase polyprotein 1ab	200000.000	34798775	Cc1cc(O)nc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
856	Replicase polyprotein 1ab	200000.000	34798775	CC(C)c1ccc(NC(=O)CSc2nccc(-c3csc(COc4ccccc4Cl)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
857	Replicase polyprotein 1ab	200000.000	34798775	COC(OC)c1cc(O)nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
858	Replicase polyprotein 1ab	200000.000	34798775	CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
859	Replicase polyprotein 1ab	200000.000	34798775	N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
860	Replicase polyprotein 1ab	207000.000	34798775	COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
861	Replicase polyprotein 1ab	210000.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
862	Replicase polyprotein 1ab	220800.000	34798775	CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
863	Replicase polyprotein 1ab	226700.000	34798775	C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
864	Replicase polyprotein 1ab	233400.000	34798775	CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
865	Replicase polyprotein 1ab	240000.000	34798775	O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@@H]2CCCC[C@H]...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
866	Replicase polyprotein 1ab	250000.000	34798775	CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1N	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
867	Replicase polyprotein 1ab	250000.000	34798775	CC(C)COC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
868	Replicase polyprotein 1ab	260000.000	34798775	CCCCN(C)C[C@H]1O[C@@H](CN[C@H](C=O)Cc2c[nH]cn2...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
869	Replicase polyprotein 1ab	260000.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
870	Replicase polyprotein 1ab	280000.000	34798775	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCC(C)(C)C)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
871	Replicase polyprotein 1ab	280800.000	34798775	O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
872	Replicase polyprotein 1ab	283500.000	34798775	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
873	Replicase polyprotein 1ab	300000.000	34798775	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc1ccccc1)NC(=...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
874	Replicase polyprotein 1ab	300000.000	34798775	CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
875	Replicase polyprotein 1ab	300000.000	34798775	COc1cccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
876	Replicase polyprotein 1ab	300000.000	34798775	CC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc...	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
877	Replicase polyprotein 1ab	350000.000	34798775	CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O...	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
878	Replicase polyprotein 1ab	400000.000	34798775	COc1ccc(-c2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1	inactive	1.0	1.0	1.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
879	Replicase polyprotein 1ab	440000.000	34798775	CCCCN(C)C[C@@H]1O[C@@H](CN[C@H](C=O)Cc2c[nH]cn...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
880	Replicase polyprotein 1ab	500000.000	34798775	Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2F)n1	inactive	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
881	Replicase polyprotein 1ab	800000.000	34798775	CCOC(=O)C=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)C(CC=C...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
882	Replicase polyprotein 1ab	870000.000	34798775	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
883	Replicase polyprotein 1ab	2000000.000	34798775	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

884 rows × 886 columns

df8=df8.drop('Target Name',axis=1)

df88=df8.drop( 'Binding db',axis=1)

df88

	activity	SMILES	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	1600.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)S(=O)(=O)F...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	180.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCl)CCN1c1ccc(Cl)...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
2	310.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CBr)CCN1c1ccc(Cl)...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
3	2800.000	C#CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
4	400.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1cc...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
5	5100.000	O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
6	92.000	CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
7	0.270	COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
8	530.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
9	670.000	O=c1c2ccccc2[se]n1-c1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
10	8.000	[2H][C@](C(=O)N[C@@H](C)c1ccc(F)cc1)(c1cccnc1)...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
11	30.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
12	10960.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
13	670.000	C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C(Cl)Cl)c1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
14	6600.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
15	26100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
16	5800.000	CC1(C)[C@H](C(=O)OCc2ccccc2F)N2C(=O)[C@@H](NC(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
17	9200.000	CC1(C)[C@H](C(=O)OCc2cccc(F)c2)N2C(=O)[C@@H](N...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
18	7400.000	CC1(C)[C@H](C(=O)OCc2ccc(F)cc2)N2C(=O)[C@@H](N...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
19	16900.000	CC1(C)[C@H](C(=O)OCc2cc(F)cc(F)c2)N2C(=O)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
20	3600.000	CC1(C)[C@H](C(=O)OCc2ccc(F)cc2F)N2C(=O)[C@@H](...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
21	1600.000	CC1(C)[C@H](C(=O)OCc2c(F)cc(F)cc2F)N2C(=O)[C@@...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
22	35300.000	CC1(C)[C@H](C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
23	13300.000	CC1(C)[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)N2C(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
24	31100.000	COc1ccc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
25	10200.000	CC1(C)[C@H](C(=O)OCc2ccc(C(F)(F)F)o2)N2C(=O)[C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
26	9000.000	Cc1cc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
27	7900.000	COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
28	5200.000	CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
29	3000.000	C#CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
30	9700.000	CC1(C)[C@H](C(=O)OCC#N)N2C(=O)[C@@H](NC(=O)COc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
31	6600.000	CC1(C)[C@H](C(=O)OCOc2ccccc2)N2C(=O)[C@@H](NC(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
32	45700.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
33	5300.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
34	2800.000	COc1ccc(OCC(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)OCc4...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
35	2300.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
36	4100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
37	42100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
38	700.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)C(Br)(Br)[C...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
39	10100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](Br)[C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
40	24200.000	CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
41	600.000	CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
42	500.000	CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
43	22900.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
44	200.000	C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
45	280.000	C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
46	510.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
47	560.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
48	660.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
49	670.000	C[C@H](NC(=O)C(c1cnccn1)N(C(=O)c1c[nH]cn1)c1cc...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
50	810.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccno1)c1ccc(C...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
51	940.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
52	960.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1cc...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
53	1050.000	O=C(NCCCc1ccccc1)C(c1cccnc1)N(C(=O)c1ccco1)c1c...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
54	1480.000	O=C(NCC(c1ccccc1)c1ccccc1)C(c1cccnc1)N(C(=O)c1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
55	1810.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
56	1970.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc([...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
57	2140.000	CC(C)(C)CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
58	2390.000	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
59	2470.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccno1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
60	2510.000	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
61	2540.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
62	2680.000	O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
63	3860.000	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CC2)c2c...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
64	4100.000	O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
65	4930.000	CC(C)(C)NC(=O)C(c1cnccn1)N(C(=O)c1ccco1)c1ccc(...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
66	4970.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(-...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
67	5370.000	CC(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
68	5460.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(N...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
69	5700.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
70	5820.000	O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
71	7270.000	O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
72	7490.000	COc1ccc(NC(=O)C(c2cccnc2)N(C(=O)c2ccco2)c2ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
73	7810.000	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)Nc2ccc(F)c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
74	8130.000	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCn2nnc3cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
75	12090.000	O=C(NC1CC1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
76	13240.000	CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCc2ccccc2...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
77	21880.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
78	35100.000	C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
79	21280.000	Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
80	300.000	O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
81	25020.000	Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/NC(=O)c3nonc3...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
82	17500.000	Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)c([N+](=O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
83	10760.000	Cc1c(NC(=S)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
84	8080.000	NC(=S)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
85	9690.000	NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
86	10880.000	NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
87	17530.000	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
88	9090.000	NC(=S)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
89	4140.000	N#Cc1cc(-c2ccc(/C=N/NC(N)=S)o2)ccc1O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
90	5810.000	COc1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1OC	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
91	7090.000	NC(=S)N/N=C/c1ccc(-c2ccncc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
92	8760.000	NC(=S)N/N=C/c1ccc(-c2ccc(F)nc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
93	10400.000	NC(=S)N/N=C/c1ccc(-c2ccc3cccnc3c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
94	10300.000	NC(=S)N/N=C/c1ccc(-c2cnc3ccccc3c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
95	1550.000	NC(=S)N/N=C/c1ccc(Cc2ccccc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
96	4000.000	NC(=O)c1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
97	5390.000	NC(=S)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
98	4050.000	NC(=S)N/N=C/c1ccc(-c2ccccc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
99	8140.000	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2F)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
100	4690.000	Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(N)=S)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
101	1570.000	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(O)c2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
102	32530.000	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
103	40590.000	NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2Cl)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
104	25390.000	NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
105	10000.000	NC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
106	24560.000	NC(=S)N/N=C/c1cc(-c2ccc(C(=O)O)cc2)co1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
107	5780.000	NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)s1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
108	5440.000	NC(=S)N/N=C/c1cccc(-c2ccc(C(=O)O)cc2)c1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
109	670.000	CC(C)(C)OC(=O)Nc1cccn(C(=O)N[C@@H](CC2CC2)C(=O...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
110	4130.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
111	15.000	CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CC...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
112	940.000	O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
113	2500.000	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
114	143.000	O=C(Sc1nncs1)c1cc2ccccc2[nH]1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
115	624.000	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
116	60.000	Cc1nnc(SC(=O)c2cccc3[nH]ccc23)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
117	72.000	Cc1nnc(SC(=O)c2ccc3[nH]ccc3c2)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
118	55.000	Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
119	159.000	Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
120	349.000	Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
121	91.000	CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
122	147.000	COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
123	1220.000	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
124	281.000	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)n1C(=O)c1cc2cccc...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
125	316.000	Cc1nnc(SC(=O)c2cc3ccccc3o2)s1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
126	481.000	Cc1nnc(SC(=O)c2ccc(Br)o2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
127	34.000	Cc1nnc(SC(=O)c2ccc(-c3ccccc3)o2)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
128	250.000	Cc1nnc(SC(=O)c2ccc(C#Cc3ccccc3)o2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
129	235.000	Cc1nnc(SC(=O)c2ccc(-c3ccccc3)[nH]2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
130	454.000	Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
131	11.000	O=C(Sc1ncccn1)c1cc2ccccc2[nH]1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
132	88.000	Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
133	2030.000	Cc1cc(C)nc(SC(=O)c2cc3ccccc3[nH]2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
134	18.000	O=C(Sc1ncccn1)c1ccc(-c2ccccc2)o1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
135	288.000	Cc1cc(C)nc(SC(=O)c2ccc(C#Cc3ccccc3)o2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
136	16.000	O=C(Sc1ncccn1)c1cc2ccccc2s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
137	14.000	O=C(Sc1ncccn1)c1ccc(-c2ccccc2)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
138	14.000	O=C(Sc1ncccn1)c1ccc(-c2ccc(Br)cc2)s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
139	21.000	O=C(Sc1ncccn1)c1ccc2ccccc2n1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
140	551.000	COc1ccc2cc([C@H](C)C(=O)Sc3ncccn3)ccc2c1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
141	117.000	O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
142	166.000	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
143	255.000	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccc(Br)cc2)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
144	190.000	O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
145	125.000	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
146	89.000	O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
147	313.000	O=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
148	34.000	O=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
149	2350.000	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
150	2080.000	O=C(NCCN1C(=O)C=CC1=O)c1cc2ccccc2[nH]1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
151	4030.000	S=C(SSC(=S)N1CCOCC1)N1CCOCC1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
152	19.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4c(F)n(C)nc4cc3Cl)n(Cc3...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
153	14.000	CCn1cc2cc(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
154	9.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(CC(F)F)nc4cc3Cl)n(C...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
155	5.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
156	10.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
157	15.000	Cn1cnc(Cn2c(=O)nc(NC3=CC4CCOC4C=C3Cl)n(Cc3cc(F...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
158	5.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
159	10.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
160	780.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3ccc...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
161	6.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
162	4.000	Cn1cc2cc(Nc3nc(=O)n(Cc4cc5ccsc5[nH]c4=O)c(=O)n...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
163	14.000	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
164	2.000	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
165	12.000	Cn1cc2cc(Nc3nc(=O)n(-c4cncc5c4COC5)c(=O)n3Cc3c...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
166	9.000	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
167	360.000	Cn1cc2cc(Nc3nc(=O)n(-c4cncc(C(F)(F)F)c4)c(=O)n...	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
168	100.000	Cn1cc2cc(Nc3nc(=O)n(Cc4cc(Cl)ccn4)c(=O)n3Cc3cc...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
169	140.000	CCNC(=O)Cn1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
170	260.000	Cc1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
171	19.000	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
172	11.000	C=C(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
173	4.800	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
174	5.200	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
175	150.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
176	60.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
177	36.000	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
178	13.000	CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
179	16.000	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
180	77.000	CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
181	49.000	CC(C)(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
182	350.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
183	8.400	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)NC...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
184	650.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1cccc(Cl)c1)C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
185	530.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(Cl)c1)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
186	160.000	CC(C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)N[C@@H](C...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
187	52.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
188	66.000	CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
189	30.000	CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1C...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
190	8.500	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
191	15.000	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
192	33.000	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
193	60.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
194	47.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
195	105.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
196	9.300	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
197	40.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
198	360.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
199	620.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
200	75.000	CCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
201	370.000	CCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
202	720.000	CCCCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
203	120.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
204	23.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C(=...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
205	17.000	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
206	26.000	CC(C)(C)NC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
207	180.000	CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
208	150.000	CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
209	22.000	CC(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
210	45.000	CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
211	59.000	CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2[...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
212	97.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC(C)(C)C)C(=O)N...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
213	120.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
214	720.000	CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
215	180.000	CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CCCCC2)C(=O)N[C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
216	2390.000	O=C(/C=C/c1ccccc1)N[C@H](CC1CCCCC1)C(=O)N[C@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
217	180.000	CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CC2)C(=O)N[C@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
218	124930.000	CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
219	1820.000	CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
220	15750.000	CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
221	9350.000	CCN(CC)C(=S)SSC(=S)N(CC)CC	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
222	21390.000	CCC(C)SSc1ncc[nH]1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
223	6410.000	O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
224	970.000	CSCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
225	450.000	CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
226	53.000	O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
227	40.000	O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](Cc1cccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
228	5730.000	CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
229	3900.000	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
230	10690.000	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
231	8600.000	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
232	3140.000	CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
233	2400.000	Cc1ccc(N)cc1C(=O)N[C@@H](C)c1cccc2ccccc12	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
234	5000.000	CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)c2cccc3ccccc23)c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
235	23500.000	Cc1ccccc1C(=O)NC(C)c1ccc2ccccc2c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
236	100700.000	COc1ccc(CNC(=O)C2CCN(Cc3cccc4ccccc34)CC2)cc1	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
237	8.000	O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
238	0.013	Cn1cnc(Cn2c(=O)[nH]/c(=N\c3cc4cn(C)nc4cc3Cl)n(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
239	0.440	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
240	0.440	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cncc3ccccc23)CC...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
241	0.790	O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
242	0.610	O=C(NCc1cccs1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
243	3.000	O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cc(=O)[nH]c(=O)[...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
244	0.350	O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
245	0.400	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
246	0.590	O=C(NCc1ccco1)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
247	0.480	O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cc(=O)[nH]c(=O)...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
248	18.000	O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCc4ccccc4Cl)c3)c...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
249	4200.000	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
250	4.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
251	1700.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
252	7.000	COc1cccc2[nH]c(C(=O)NC(CC(C)(C)C)C(=O)NC(CC3CC...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
253	1200.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(O)cc1)C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
254	920.000	COc1ccc(OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
255	17.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
256	20.000	CCCCC(NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)NC(CC1CC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
257	20.000	CC(C)(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CC1C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
258	2300.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
259	60.000	CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
260	34.000	COc1cccc2[nH]c(C(=O)NC(CCC(C)C)C(=O)NC(CC3CCNC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
261	35.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)c...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
262	38.000	CC(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CC1CCNC...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
263	40.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1cccc(F...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
264	44.000	COc1cccc2[nH]c(C(=O)NC(CC3CCCCC3)C(=O)NC(CC3CC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
265	45.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
266	47.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(Br)ccc2c1	active	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
267	50.000	O=C(Oc1cncc(Br)c1)c1ccco1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
268	51.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
269	53.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
270	53.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c1cc...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
271	53.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc2ccccc2s1	active	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
272	60.000	O=C(Oc1cncc(Cl)c1)c1ccco1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
273	60.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc...	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
274	65.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
275	65.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
276	74.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
277	79.000	COc1ccc(C(=O)OCC(=O)C(CC2CCNC2=O)NC(=O)C(CC(C)...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
278	80.000	O=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
279	82.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
280	83.000	COc1cccc2[nH]c(C(=O)N(C)C(CC(C)C)C(=O)NC(CC3CC...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
281	86.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
282	87.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
283	500.000	O=C(Oc1cncc(Cl)c1)c1cccs1	active	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
284	89.000	O=C(Oc1cncc(Cl)c1)c1ccc2c(ccn2S(=O)(=O)c2cccc(...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
285	91.000	CC(C)(C)CC(NC(=O)C1CCCO1)C(=O)NC(CC1CCNC1=O)C(...	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
286	95.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2s1	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
287	97.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
288	98.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
289	103.000	COc1cccc2[nH]c(C(=O)NC(Cc3ccccc3)C(=O)NC(CC3CC...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
290	105.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)c...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
291	108.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2oc1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
292	400.000	CC(=O)O[Hg]c1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
293	112.000	CCOCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
294	122.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
295	124.000	O=C(Oc1cncc(Cl)c1)c1cccc2ccccc12	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
296	131.000	COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)C(CCC(C)C)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
297	140.000	CC(=O)N1Cc2ccccc2CC1C(=O)Oc1cncc(Cl)c1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
298	2200.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@...	active	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
299	164.000	O=C(Oc1cncc(Cl)c1)c1ccncc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
300	453.000	CC1(C)C2CN(C(=O)c3ccc4ccccc4c3)[C@@H](C(=O)N[C...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
301	52.000	CC1(C)C2CN(C(=O)COc3ccc4ccccc4c3)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
302	17.000	CC1(C)C2CN(C(=O)CCc3cccc(F)c3)[C@@H](C(=O)N[C@...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
303	19.000	CC1(C)C2CN(C(=O)COc3cc(F)cc(F)c3)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
304	13.000	CC1(C)C2CN(C(=O)COc3ccc(F)c(F)c3)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
305	15.000	COc1ccc(OCC(=O)N2CC3C([C@@H]2C(=O)N[C@H](C=O)C...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
306	43.000	CC1(C)C2CN(C(=O)COc3cccc(C(F)(F)F)c3)[C@@H](C(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
307	37.000	COc1ccc(OCC(=O)N2CC3C([C@@H]2C(=O)N[C@H](C=O)C...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
308	15.000	CC1(C)C2CN(C(=O)COc3ccc(OC(F)(F)F)cc3)[C@@H](C...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
309	51.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)c(Br)c3)[C@@H](C(=O...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
310	13.000	CC1(C)C2CN(C(=O)COc3ccc(Br)cc3Cl)[C@@H](C(=O)N...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
311	19.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)cc3)[C@@H](C(=O)N[C...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
312	12.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)c(Cl)c3)[C@@H](C(=O...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
313	13.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)cc3Cl)[C@@H](C(=O)N...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
314	749.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
315	153.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
316	299.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
317	526.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
318	196.000	COc1ccc(C=CC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
319	375.000	CN(C)c1ccc(C=CC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
320	7.600	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
321	17.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
322	7.600	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
323	378.000	CN(C)c1ccc(CCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H]...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
324	36.000	COc1ccc(OCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C=...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
325	69.000	COc1ccc(OC(C)C(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H]...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
326	94.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
327	9.200	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
328	35.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
329	17.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
330	30.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
331	20.000	Cc1cc(Cl)ccc1OCC(=O)N1CC2CCCC2[C@@H]1C(=O)N[C@...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
332	170.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2o1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
333	900.000	CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
334	710.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
335	182.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
336	186.000	CC(C)CC(NC(=O)C(NC(=O)c1ccncc1)C(C)C)C(=O)NC(C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
337	200.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
338	1000.000	CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
339	205.000	COc1cccc(OC)c1C(=O)OCC(=O)C(CC1CCNC1=O)NC(=O)C...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
340	208.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
341	200.000	Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
342	220.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
343	230.000	O=C(Oc1cncc(Cl)c1)c1ccc2cc[nH]c2c1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
344	230.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
345	1700.000	CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
346	240.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CC1)C(=O)N[C@@H](C[...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
347	260.000	Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
348	270.000	CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1CC...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
349	270.000	O=C(Oc1cncc(Cl)c1)c1cscn1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
350	1700.000	CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
351	300.000	Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
352	330.000	CC(C)C[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
353	333.000	O=C(Oc1cncc(Cl)c1)c1ccccc1[N+](=O)[O-]	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
354	340.000	CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC1C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
355	340.000	COc1cccc(C(=O)Oc2cncc(Cl)c2)c1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
356	370.000	Cc1ccc(S(=O)(=O)N2C=CC3C=C(C(=O)Oc4cncc(Cl)c4)...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
357	390.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
358	70.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
359	400.000	CC(=O)n1ccc2cc(C(=O)Oc3cncc(Cl)c3)ccc21	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
360	2200.000	CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@@H]...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
361	650.000	O=c1c2ccccc2[se]n1CCO	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
362	410.000	O=C(O)Cn1[se]c2ccccc2c1=O	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
363	350.000	O=C(O)CCn1[se]c2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
364	130.000	O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
365	150.000	O=c1c2ccccc2[se]n1-c1cccc([N+](=O)[O-])c1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
366	260.000	O=c1c2ccccc2[se]n1-c1ccc([N+](=O)[O-])cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
367	240.000	O=c1c2ccccc2[se]n1CCN1CCOCC1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
368	330.000	CC(C)(C)OC(=O)NCn1[se]c2ccccc2c1=O	active	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
369	74.000	O=c1c2ccccc2[se]n1Cc1ccco1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
370	660.000	O=c1[nH]sc2ccccc12	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
371	780.000	Cn1sc2ccccc2c1=O	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
372	730.000	CCCn1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
373	410.000	O=c1c2ccccc2sn1CCO	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
374	480.000	CC(C)Cn1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
375	630.000	C=CCn1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
376	130.000	Nc1ccccc1-n1sc2ccccc2c1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
377	170.000	O=c1c2ccccc2sn1Cc1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
378	330.000	Cc1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
379	390.000	O=c1c2ccccc2sn1-c1ccc(Cl)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
380	110.000	O=c1c2ccccc2sn1Cc1ccco1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
381	410.000	O=c1c2ccccc2sn1CCCc1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
382	490.000	O=c1c2ccccc2sn1-c1ccccc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
383	360.000	COC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
384	230.000	CCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
385	910.000	CCCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
386	380.000	O=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
387	2300.000	CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
388	434.000	O=C(Oc1cncc(Cl)c1)c1ccc(Cl)cc1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
389	1100.000	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
390	450.000	CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
391	1200.000	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H]...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
392	500.000	CN(C)c1ccc(C=CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
393	500.000	O=C(Oc1cncc(Br)c1)c1cccs1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
394	500.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
395	508.000	CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
396	510.000	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H]...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
397	516.000	Clc1ccc(SSc2nnco2)cc1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
398	1000.000	CCOC(=O)/C=C/C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
399	600.000	CC[Hg]Sc1ccccc1C(=O)[O-]	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
400	600.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
401	650.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(N(C)C)c...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
402	3800.000	CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](C[C@@...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
403	670.000	CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
404	684.000	O=C(Oc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
405	684.000	Clc1ccc(SSc2ncccn2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
406	697.000	O=C(Oc1cncc(Cl)c1)c1cccnc1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
407	697.000	Brc1ccc(SSc2ncccn2)cc1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
408	700.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
409	700.000	COc1ncccc1-c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc3...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
410	750.000	COc1cccc(OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
411	820.000	CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](C=O)C[...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
412	883.000	O=[N+]([O-])c1ccccc1SSc1ncccn1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
413	900.000	O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(Cl)=C(Cl)Cl)...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
414	921.000	Cc1cc(C)nc(SSc2ccccc2[N+](=O)[O-])n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
415	950.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(I)cc21	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
416	970.000	CSCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
417	970.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2cccnc2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
418	980.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2c(Br)cccc21	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
419	1028.000	CC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(=O)COC(=O...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
420	1040.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
421	1690.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
422	1076.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)C...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
423	1080.000	CC(=O)n1ccc2c(C(=O)Oc3cncc(Cl)c3)cccc21	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
424	1100.000	O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(I)cc21	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
425	1118.000	COC(=O)c1ccccc1SSc1nnco1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
426	1121.000	Cc1cc(C)nc(SSc2ccc(Br)cc2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
427	1180.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
428	1250.000	Cc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
429	1264.000	COC(=O)c1ccccc1SSc1nc(C)co1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
430	1270.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CCCC1)C(=O)N[C@@H](...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
431	7700.000	COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
432	2100.000	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
433	1437.000	Cc1cc(C)nc(SSc2ccc(Cl)cc2)n1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
434	1440.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CCC1)C(=O)N[C@@H](C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
435	1460.000	CCCCCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(c...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
436	1495.000	Cc1ccc(SSc2nc(C)cc(C)n2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
437	1500.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NCc2ccccc2...	intermediate	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN
438	1500.000	CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
439	1500.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNc1ccccc1)C(C)...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
440	1506.000	CC(=O)Nc1cnc(SSc2ccccc2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
441	1522.000	Cc1ccc(SSc2ncccn2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
442	1557.000	CCOC(=O)c1ccccc1SSc1nnc(C)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
443	1651.000	CC(=O)Nc1cnc(SSc2ccc(Br)cc2)s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
444	1679.000	COC(=O)c1ccccc1SSc1nnc(C)o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
445	1700.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(C(=O)O)...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
446	1713.000	Cc1nnc(SSc2ccccc2[N+](=O)[O-])o1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
447	1762.000	CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1-c1cccnc1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
448	1871.000	Clc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
449	1700.000	COc1ccccc1OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
450	1947.000	CC(=O)Nc1cnc(SSc2ccccc2[N+](=O)[O-])s1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
451	1950.000	O=C(C=Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
452	1991.000	Cc1cc(C)nc(SSc2ccccc2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
453	2000.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2c1cccc2[N+](=O)[O-]	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
454	2000.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
455	2000.000	Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+]...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
456	2000.000	CC(O)C(NC(=O)CCC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
457	2000.000	CC(O)C(NC(=O)CC(O)C(=O)NC(C(=O)N[C@@H](Cc1cccc...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
458	2000.000	CC(O)C(NC(=O)C(O)C(O)C(=O)NC(C(=O)N[C@@H](Cc1c...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
459	2000.000	COc1c(Sc2nnnn2-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]c...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
460	2000.000	Cc1nc(C(=O)[C@@H](C[C@H]2CCNC2=O)NC(=O)[C@@H](...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
461	2029.000	O=[N+]([O-])c1ccccc1SSc1nccs1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
462	2075.000	COC(=O)c1nc(SSc2ccccc2[N+](=O)[O-])[nH]c1C	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
463	2100.000	CNc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
464	2150.000	Cn1sc(=O)n(Cc2ccccc2)c1=O	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
465	2200.000	CCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2c...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
466	2211.000	Fc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
467	2250.000	CC1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
468	2390.000	CC(C)(C)OC(=O)Nc1cccn(C(CC2CCCCC2)C(=O)NC(CC2C...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
469	2452.000	CCOC(=O)c1ccccc1SSc1nc(C)cs1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
470	2500.000	CC1=C(C(=O)OCCc2ccccc2)C(c2ccccc2[N+](=O)[O-])...	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
471	4400.000	O=[N+]([O-])C(Br)(CO)CO	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
472	2500.000	Clc1ccc(C2C(n3ccnc3)C(c3ccc(Br)cc3)=NN2c2ccc(C...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
473	2555.000	Cc1csc(SSc2ccccc2[N+](=O)[O-])n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
474	2565.000	CC(=O)Nc1cnc(SSc2ccc(F)cc2)s1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
475	2600.000	Nc1nc2nc3nc(N)sc3cc2s1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
476	2626.000	CC(=O)Nc1cnc(SSc2ccc(Cl)cc2)s1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
477	2630.000	O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
478	2700.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
479	2803.000	CC(=O)Nc1cnc(SSc2ccc(C)cc2)s1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
480	2820.000	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)C1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
481	2880.000	CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(COC3OCC(O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
482	2900.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
483	2900.000	CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
484	2900.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccnc1)C(C)...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
485	3000.000	O=C(Sc1nnc(C(F)(F)F)[nH]1)c1ccc(C#Cc2ccccc2)o1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
486	3000.000	O=C(CSc1nccc(-c2csc(-c3ccccc3)n2)n1)Nc1cc(Cl)c...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
487	3000.000	O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
488	3020.000	O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
489	5500.000	COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
490	3130.000	CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1C	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
491	3180.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2OC(=O...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
492	3290.000	C/C1=C2/[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
493	3300.000	COc1ccccc1N=Cc1nc(-c2ccccc2)oc1OC(C)=O	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
494	3321.000	Brc1ccc(SSc2nccs2)cc1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
495	3400.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC1CCN...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
496	3400.000	COCCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C)c2cc...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
497	3400.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc([N+](=O...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
498	3600.000	CC(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc3...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
499	3675.000	CCOC(=O)c1c[nH]c(SSc2ccc(Cl)cc2)n1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
500	3800.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
501	3957.000	COC(=O)c1ccccc1SSc1nc(C(=O)OC)c(C)[nH]1	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
502	4000.000	O=C(CC(SO)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
503	9900.000	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[...	intermediate	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
504	4100.000	O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
505	4100.000	CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
506	4100.000	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
507	4100.000	COc1ccc(SSc2nc(-c3ccccc3)n(C(C)=O)n2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
508	4126.000	COC(=O)c1nc(SSc2ccc(Cl)cc2)[nH]c1C	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
509	4183.000	CC(=O)n1nc(SSc2ccc(C)cc2)nc1-c1ccccc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
510	10300.000	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
511	4300.000	Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
512	4300.000	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
513	4450.000	O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
514	4511.000	CCOC(=O)c1ccccc1SSc1nc(-c2ccncc2)n(C(C)=O)n1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
515	4600.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
516	4600.000	COc1cc(C(=S)N2CCOCC2)ccc1O	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
517	4620.000	O=C1O[C@H]2C(O)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
518	4700.000	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2...	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
519	4820.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(F)cc21	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
520	5000.000	Cc1noc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)s2)c1[N...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
521	5200.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccc(Cl)o1)c1...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
522	5470.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC(=O)C=C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
523	5500.000	N#Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(=O)O)cc3...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
524	5520.000	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
525	10600.000	CCOc1cccc(C(=O)c2ccc(O)c(O)c2O)c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
526	5654.000	CCOC(=O)c1ccccc1SSc1nc(-c2cccnc2)n(C(C)=O)n1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
527	5700.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
528	5700.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
529	5730.000	CCCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC1...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
530	5794.000	COc1ccc(SSc2nc(-c3cccnc3)n(C(C)=O)n2)cc1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
531	5850.000	C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)...	intermediate	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN
532	3900.000	CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
533	5954.000	CCOC(=O)c1ccccc1SSc1nc(C(=O)OC)c(C)[nH]1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
534	5950.000	O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
535	14400.000	O=C(CCl)N1CCN(Cc2ccsc2)CC1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
536	4700.000	O=C(CCl)N1N=C(c2cccs2)CC1c1cccs1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
537	37500.000	O=C(CCl)N1CCc2sccc2C1c1cccs1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
538	55000.000	O=C(CCl)N1CCc2sccc2C1c1ccccc1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
539	46400.000	O=C(CCl)N1N=C(c2ccco2)CC1c1cccs1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
540	80900.000	O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
541	18200.000	COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
542	42100.000	N#Cc1ccc(C=C[N+](=O)[O-])cc1	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
543	47500.000	COc1ccc(C=C[N+](=O)[O-])cc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
544	45900.000	COc1cc(C=C[N+](=O)[O-])cc(OC)c1OC	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
545	14600.000	O=[N+]([O-])C=Cc1cccc(Br)c1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
546	142000.000	Cc1ccc(S(=O)(=O)C(C#N)=Cc2cccnc2)cc1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
547	2190.000	CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
548	4740.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
549	5360.000	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
550	7540.000	CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
551	320.000	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
552	25500.000	Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
553	17900.000	CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
554	39900.000	CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
555	7590.000	CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
556	14600.000	CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
557	5540.000	CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
558	14800.000	CN1C(=O)C(NC(=O)OCc2ccccc2)CCN1C#N	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
559	6570.000	CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
560	100000.000	CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
561	24500.000	N#CSc1nc2ccccc2c(=S)s1	intermediate	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
562	1450.000	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(C)N(C#N)CCC(N)=O	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
563	2330.000	CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)CCC...	intermediate	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
564	775.000	CC(C)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
565	236.000	CN(C(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccc...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
566	37.000	CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(...	active	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
567	38.000	CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1...	intermediate	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
568	1600.000	N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)c(Cl)c3)o2)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
569	19800.000	CC(=O)OCC1O[C@@H](CS[Au])[C@@H](OC(C)=O)C(OC(C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
570	22500.000	Cn1c(=O)c2c(nc3n(CC#Cc4ccc(Cl)c(Cl)c4)ccn23)n(...	active	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
571	21700.000	O=C(Oc1cncc(Cl)c1)c1c[nH]c2ccccc12	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
572	1930.000	O=C(Oc1cncc(Cl)c1)c1ccc2[nH]ccc2c1	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
573	227.000	O=C(Oc1cncc(Br)c1)c1cccc2[nH]ccc12	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
574	354.000	O=C(Oc1cncc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3	active	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
575	23.000	O=C(Oc1cncc(Cl)c1)c1cc2c(Cl)cc(Cl)cc2[nH]1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
576	6000.000	Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
577	6000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C1=NC=NC1)c1cc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
578	6100.000	N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccc([N+](=O)[O-])c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
579	6200.000	CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2c...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
580	6270.000	O=C(C=Cc1ccccc1)N[C@H](C(=O)N[C@@H](C[C@@H]1CC...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
581	6500.000	Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
582	6680.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2O)C(O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
583	6800.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
584	6810.000	COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
585	6800.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
586	6860.000	COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4cccc(C(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
587	6900.000	CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
588	7000.000	COC(=O)c1cc2c(O)cc(C(F)(F)F)nc2o1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
589	7000.000	O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2c(=O...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
590	7000.000	O=C1C=CC(=O)c2cn(Cc3ccccc3)cc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
591	7000.000	Cc1c(C(=O)CC2OC(=O)C(Cl)=C2Cl)sc2ccc(Cl)cc12	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
592	7200.000	COc1cc(CS(=O)c2nc3cccnc3s2)oc(=O)c1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
593	7200.000	Cc1noc(C)c1CN1C(=O)C(=O)c2cc(C#N)ccc21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
594	24670.000	Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
595	14160.000	C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
596	31450.000	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
597	12460.000	CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
598	16140.000	N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
599	7500.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNCc1ccccc1)C(C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
600	7600.000	CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Sc1c(Cl)c(Cl)cc(Cl)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
601	7720.000	CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
602	7900.000	O=C(Oc1cccnc1)C1CCCO1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
603	7960.000	CC1=CC(=O)c2ccccc2C1=O	intermediate	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
604	3140.000	CCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
605	8000.000	CCCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
606	8100.000	CCCCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
607	8100.000	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
608	10000.000	C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
609	8300.000	O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
610	8400.000	O=C(O)c1ccc(C=C2C(=O)N(c3cccc([N+](=O)[O-])c3)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
611	8400.000	CCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2)n...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
612	8500.000	CCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C@@...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
613	10130.000	S=C=NCCc1ccccc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
614	9000.000	CCOc1ccc(C(=O)c2ccc(O)c(O)c2O)cc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
615	9090.000	O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
616	25000.000	O=C1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
617	9100.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
618	9190.000	O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
619	9200.000	CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H](NCc2ccccc2...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
620	9200.000	O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
621	9400.000	O=C1C(=O)N(Cc2ccc(F)cc2Cl)c2ccc(I)cc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
622	9500.000	O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
623	9560.000	COc1ccc(C(c2c(O)c3cc(C)ccc3oc2=O)c2c(O)c3cc(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
624	9680.000	C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe](Cl)n3c(c(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
625	9800.000	COc1ccc2c(c1)CCC1C2=NN(C(C)=O)C1c1cccc(I)c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
626	9840.000	NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
627	9910.000	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
628	9960.000	O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
629	10000.000	Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
630	10000.000	CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H]...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
631	10000.000	Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)[nH]n1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
632	10000.000	CC(C)(C)NC(=O)C(c1ccnnc1)N(C(=O)c1ccco1)c1ccc(...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
633	10000.000	Cn1nc(-c2ccc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)s...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
634	10000.000	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
635	10000.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
636	10000.000	O=c1[nH]c2ccccc2c(O)c1Sc1nnnn1-c1ccc(OCc2ccccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
637	10000.000	O=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1Sc1nnnn1-c1ccc(O...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
638	10070.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
639	10170.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C=Cc3cc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
640	10200.000	CCCN1C(=O)C(=O)c2cc(C(N)=O)ccc21	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
641	10300.000	CC(C)COC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3cccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
642	10380.000	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
643	10690.000	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
644	10600.000	N#Cc1c(-c2cccc([N+](=O)[O-])c2)nc(SCc2ccc([N+]...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
645	10680.000	C#CC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C@@...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
646	10800.000	O=C(O)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2cccc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
647	11000.000	CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
648	11000.000	CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
649	11000.000	CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)C(C(=O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
650	11040.000	C=CCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
651	11200.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2cccc(Cl)c21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
652	11390.000	CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
653	11830.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
654	12000.000	O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(C...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
655	12000.000	COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(=O)O)cc3)C2...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
656	12000.000	CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
657	12500.000	COc1ncc(-c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
658	12500.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
659	12570.000	O=C(Nc1ccc(Cl)cc1)c1ccc(CN2C(=O)C(=O)c3cc(I)cc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
660	12660.000	O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
661	13000.000	CCOC(=O)C=CC(Cc1ccccc1)NC(=O)C(CC(=O)C(NC(=O)c...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
662	13000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
663	13000.000	O=C(Cc1cncc(Br)c1)c1ccc(-c2ccc(Cl)cc2)o1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
664	13000.000	Cc1ccc(S(=O)(=O)c2nc(C)c([N+](=O)[O-])c(C)c2C#...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
665	13000.000	Cc1nc(S(=O)(=O)c2ccccc2)c(C#N)c(C)c1[N+](=O)[O-]	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
666	13000.000	C=C(Cc1cccc(C)c1)C1=CC=C(c2ccc(C)cc2)C1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
667	13110.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccccc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
668	13300.000	CC(C)(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
669	13320.000	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
670	13330.000	CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
671	13500.000	O=C1C(=O)N(CC2COc3ccccc3O2)c2ccc(I)cc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
672	13600.000	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
673	13700.000	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
674	13740.000	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
675	13900.000	Nc1ncnc2[nH]c(C(F)(F)F)nc12	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
676	13900.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2cccc...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
677	13860.000	O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
678	13860.000	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(CCc4ccccc4)CC...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
679	14000.000	O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
680	14000.000	Cc1csc(-c2nc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)c...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
681	14400.000	Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
682	15000.000	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
683	15000.000	CSc1[nH]nc(NC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
684	15000.000	O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)[n+]([...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
685	15000.000	CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(Cl)cc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
686	15000.000	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
687	15000.000	O=C(CSc1nccc(-c2cc(-c3ccccc3)no2)n1)Nc1ccc(Cl)cc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
688	15000.000	O=C(CSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1)Nc1c...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
689	15000.000	O=C(CSc1nccc(-c2cc(-c3ccccc3Cl)no2)n1)Nc1ccc(C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
690	15250.000	CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
691	15500.000	O=C(ON1C(=O)CCC1=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
692	15750.000	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
693	16000.000	CC1(C)CC(=O)c2c(NCc3ccco3)sc(C#N)c2C1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
694	16000.000	O=C(O)c1ccc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
695	16000.000	CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)c2ccc(/N=C/C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
696	16000.000	CC(=O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
697	16900.000	N#Cc1c(-c2ccc(Cl)cc2)nc(SCCc2ccccc2)[nH]c1=O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
698	17100.000	CC1=CC(=O)c2c(O)cccc2C1=O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
699	17200.000	Cc1cc2cc(CN(CCc3ccccc3C)C(=O)NCc3ccccc3)c(=O)[...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
700	17380.000	CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc([N+](=O)[O-])o...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
701	17500.000	O=C1C(=O)N(Cc2ccc(C(=O)N3CCCCC3)s2)c2ccc(I)cc21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
702	17800.000	CCCCN1C(=O)C(=O)c2cc(C(N)=O)ccc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
703	17820.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc3...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
704	17930.000	O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
705	18000.000	CSc1nn(-c2c([N+](=O)[O-])c(C)nn2C)c(-c2cccs2)c...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
706	18000.000	O=S(=O)(Cc1[nH]c(-c2ccc(Cl)s2)c[s+]1)c1cccs1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
707	18000.000	CCOC(=O)C1OC1C(=O)N(CCC(N)=O)NC(=O)[C@H](Cc1cc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
708	18000.000	O=S(=O)(Cc1nc(-c2ccc(Cl)s2)cs1)c1cccs1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
709	18000.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
710	18020.000	CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
711	18200.000	Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
712	18200.000	O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
713	18280.000	O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
714	19180.000	Cc1cc(OC(CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)c...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
715	20000.000	O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
716	20000.000	Cc1nn(C)c(NCc2ccc(-c3cccs3)s2)c1[N+](=O)[O-]	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
717	20000.000	O=C(NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
718	20300.000	COc1ccc(-c2nc(SCCc3ccccc3)[nH]c(=O)c2C#N)cc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
719	20770.000	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
720	21100.000	CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
721	21490.000	COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
722	21520.000	Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
723	21520.000	O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
724	21520.000	O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
725	21520.000	CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
726	21700.000	Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
727	22100.000	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
728	22270.000	Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
729	24800.000	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)CO	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
730	22500.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
731	23000.000	C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
732	23000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
733	23500.000	O=C1C(=O)N(C/C=C/c2cc3ccccc3s2)c2ccc(I)cc21	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
734	23500.000	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
735	23540.000	CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
736	23800.000	O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
737	24000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
738	24000.000	COc1ccc(C=CC(=O)NC(CC(C)C)C(=O)N[C@H](Cc2ccccc...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
739	24000.000	CC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
740	24140.000	CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
741	24150.000	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
742	24150.000	CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
743	24300.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
744	24330.000	COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
745	24900.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(-c3cccc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
746	24970.000	Cc1[nH]c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
747	25000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
748	25000.000	Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cc...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
749	25000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
750	25000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
751	25000.000	O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
752	25300.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
753	26000.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
754	26300.000	COc1ccc(-c2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
755	27100.000	CCCCCCCc1ccc(CCc2cccc(O)c2C(=O)O)cc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
756	27770.000	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
757	28000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
758	28000.000	O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)c1cncc(Br)c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
759	28100.000	CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
760	28850.000	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
761	30000.000	CCCc1cc(O)nc(SCC(=O)Nc2ccc(Cl)cc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
762	31620.000	O=c1c(OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
763	31710.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cc...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
764	32000.000	CCOC(=O)C(=CNc1ccc(S(=O)(=O)c2ccc(/N=C/C(C(=O)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
765	32080.000	COc1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)C(=O)N4...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
766	32000.000	COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
767	34910.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(CCc4ccccc4)CC3)cc2C1=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
768	35000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
769	35200.000	N#Cc1c(-c2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
770	36000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccc([N+](=O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
771	38400.000	COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
772	37000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
773	38570.000	Cc1ccc(C(=O)NC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
774	39000.000	CCOC(=O)C=CC(Cc1ccccc1)NC(=O)C(Cc1ccc(F)cc1)NC...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
775	39000.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
776	39000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
777	38700.000	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
778	39200.000	NC(=O)Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
779	39480.000	O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
780	39870.000	O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(S(=O)(=O)N3CC...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
781	40000.000	O=C(Cc1nccs1)c1nccs1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
782	40000.000	CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)C(F)(F)F	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
783	40000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
784	40000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
785	40000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
786	40000.000	COc1cccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[n...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
787	40000.000	CC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
788	40000.000	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
789	41390.000	Cc1ccc(C(=O)NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
790	41800.000	CCCCN1C(=O)C(=O)c2cc(I)ccc21	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
791	42000.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
792	42190.000	O=C(NC(Nc1ccccc1)C(=O)O)C(=CC=Cc1ccccc1)NC(=O)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
793	42790.000	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)o...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
794	45000.000	CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
795	45000.000	COc1ccc(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)cc1OC	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
796	46000.000	CCOC(=O)c1cc(=O)oc2cc(O)c(O)cc12	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
797	47000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ncco1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
798	48000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
799	49000.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
800	49000.000	Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
801	49600.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
802	49960.000	CC(=O)CCC(=O)N1N=C(c2c(O)nc3ccc(C)cc3c2-c2cccc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
803	50000.000	O=C1C(=O)N(Cc2ccccc2)c2ccc(I)cc21	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
804	50000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccs1)c1ccc(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
805	51330.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
806	53000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
807	56000.000	O=c1c(O)cc(C2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(C3Oc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
808	56240.000	Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c(Br)c1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
809	57000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
810	57000.000	O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)(F)c1cncc(Br)c1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
811	58350.000	Nc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
812	60000.000	COc1cccc(-c2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
813	60000.000	CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
814	61460.000	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)o...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
815	62000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
816	63000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
817	62790.000	COc1cc(C2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
818	64000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
819	67200.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
820	68000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
821	70000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
822	70000.000	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
823	71000.000	CN1C(=O)C(=O)c2cc(C(N)=O)ccc21	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
824	72300.000	COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(O)cc...	inactive	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
825	75000.000	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
826	75000.000	O=C(Cc1cncc(Br)c1)c1cnc(-c2ccc(Cl)cc2)o1	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
827	75000.000	Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NC(C)(...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
828	76740.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
829	77090.000	COc1cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)cc...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
830	80000.000	CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
831	80000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
832	80460.000	COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1=Cc1ccc(OCC(=...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
833	82910.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc3...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
834	85000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)Oc1ccccc1)C(C)C...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
835	89100.000	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
836	90720.000	O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)NC...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
837	95000.000	CCCCN(C)C[C@H]1O[C@H](CN[C@H](C=O)Cc2c[nH]cn2)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
838	100000.000	Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
839	100000.000	Cn1c(=O)c2c(ncn2C)n(C)c1=O	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
840	100000.000	Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
841	100000.000	O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
842	100000.000	O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1c...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
843	100000.000	Cn1c(=O)c2[nH]cnc2n(C)c1=O	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
844	100000.000	Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
845	101380.000	Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2c...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
846	108000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
847	128900.000	CC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(CO)CCC[...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
848	135000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
849	135000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
850	137700.000	C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCC(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
851	163200.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C=O)[C@@...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
852	175000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@H]2CCCC[C@@H]...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
853	189100.000	CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
854	200000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
855	200000.000	Cc1cc(O)nc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
856	200000.000	CC(C)c1ccc(NC(=O)CSc2nccc(-c3csc(COc4ccccc4Cl)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
857	200000.000	COC(OC)c1cc(O)nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
858	200000.000	CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
859	200000.000	N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
860	207000.000	COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
861	210000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
862	220800.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)[C@@H...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
863	226700.000	C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
864	233400.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
865	240000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@@H]2CCCC[C@H]...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
866	250000.000	CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1N	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
867	250000.000	CC(C)COC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
868	260000.000	CCCCN(C)C[C@H]1O[C@@H](CN[C@H](C=O)Cc2c[nH]cn2...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
869	260000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
870	280000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCC(C)(C)C)C(C)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
871	280800.000	O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
872	283500.000	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
873	300000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc1ccccc1)NC(=...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
874	300000.000	CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
875	300000.000	COc1cccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
876	300000.000	CC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc...	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
877	350000.000	CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O...	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
878	400000.000	COc1ccc(-c2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1	inactive	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
879	440000.000	CCCCN(C)C[C@@H]1O[C@@H](CN[C@H](C=O)Cc2c[nH]cn...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
880	500000.000	Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2F)n1	inactive	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
881	800000.000	CCOC(=O)C=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)C(CC=C...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
882	870000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
883	2000000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	inactive	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

884 rows × 884 columns

df9 = df88.replace(to_replace=['active', 'intermediate', 'inactive'], value=[0, 1, 2])

df9

	activity	SMILES	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	1600.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)S(=O)(=O)F...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	180.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCl)CCN1c1ccc(Cl)...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
2	310.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CBr)CCN1c1ccc(Cl)...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
3	2800.000	C#CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
4	400.000	O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1cc...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
5	5100.000	O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)c(Cl...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
6	92.000	CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
7	0.270	COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
8	530.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
9	670.000	O=c1c2ccccc2[se]n1-c1ccccc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
10	8.000	[2H][C@](C(=O)N[C@@H](C)c1ccc(F)cc1)(c1cccnc1)...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
11	30.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
12	10960.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
13	670.000	C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)C(Cl)Cl)c1...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
14	6600.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
15	26100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
16	5800.000	CC1(C)[C@H](C(=O)OCc2ccccc2F)N2C(=O)[C@@H](NC(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
17	9200.000	CC1(C)[C@H](C(=O)OCc2cccc(F)c2)N2C(=O)[C@@H](N...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
18	7400.000	CC1(C)[C@H](C(=O)OCc2ccc(F)cc2)N2C(=O)[C@@H](N...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
19	16900.000	CC1(C)[C@H](C(=O)OCc2cc(F)cc(F)c2)N2C(=O)[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
20	3600.000	CC1(C)[C@H](C(=O)OCc2ccc(F)cc2F)N2C(=O)[C@@H](...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
21	1600.000	CC1(C)[C@H](C(=O)OCc2c(F)cc(F)cc2F)N2C(=O)[C@@...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
22	35300.000	CC1(C)[C@H](C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
23	13300.000	CC1(C)[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2)N2C(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
24	31100.000	COc1ccc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
25	10200.000	CC1(C)[C@H](C(=O)OCc2ccc(C(F)(F)F)o2)N2C(=O)[C...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
26	9000.000	Cc1cc(COC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)COc4cc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
27	7900.000	COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
28	5200.000	CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
29	3000.000	C#CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
30	9700.000	CC1(C)[C@H](C(=O)OCC#N)N2C(=O)[C@@H](NC(=O)COc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
31	6600.000	CC1(C)[C@H](C(=O)OCOc2ccccc2)N2C(=O)[C@@H](NC(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
32	45700.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
33	5300.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
34	2800.000	COc1ccc(OCC(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)OCc4...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
35	2300.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
36	4100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
37	42100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
38	700.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)C(Br)(Br)[C...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
39	10100.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](Br)[C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
40	24200.000	CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
41	600.000	CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
42	500.000	CC1(C)[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
43	22900.000	CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
44	200.000	C[C@H](NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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114	143.000	O=C(Sc1nncs1)c1cc2ccccc2[nH]1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
115	624.000	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
116	60.000	Cc1nnc(SC(=O)c2cccc3[nH]ccc23)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
117	72.000	Cc1nnc(SC(=O)c2ccc3[nH]ccc3c2)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
118	55.000	Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
119	159.000	Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
120	349.000	Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
121	91.000	CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
122	147.000	COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
123	1220.000	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
124	281.000	Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)n1C(=O)c1cc2cccc...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
125	316.000	Cc1nnc(SC(=O)c2cc3ccccc3o2)s1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
126	481.000	Cc1nnc(SC(=O)c2ccc(Br)o2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
127	34.000	Cc1nnc(SC(=O)c2ccc(-c3ccccc3)o2)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
128	250.000	Cc1nnc(SC(=O)c2ccc(C#Cc3ccccc3)o2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
129	235.000	Cc1nnc(SC(=O)c2ccc(-c3ccccc3)[nH]2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
130	454.000	Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
131	11.000	O=C(Sc1ncccn1)c1cc2ccccc2[nH]1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
132	88.000	Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
133	2030.000	Cc1cc(C)nc(SC(=O)c2cc3ccccc3[nH]2)n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
134	18.000	O=C(Sc1ncccn1)c1ccc(-c2ccccc2)o1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
135	288.000	Cc1cc(C)nc(SC(=O)c2ccc(C#Cc3ccccc3)o2)n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
136	16.000	O=C(Sc1ncccn1)c1cc2ccccc2s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
137	14.000	O=C(Sc1ncccn1)c1ccc(-c2ccccc2)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
138	14.000	O=C(Sc1ncccn1)c1ccc(-c2ccc(Br)cc2)s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
139	21.000	O=C(Sc1ncccn1)c1ccc2ccccc2n1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
140	551.000	COc1ccc2cc([C@H](C)C(=O)Sc3ncccn3)ccc2c1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
141	117.000	O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
142	166.000	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)o1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
143	255.000	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccc(Br)cc2)o1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
144	190.000	O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
145	125.000	O=C(Sc1nc2ccccc2s1)c1ccc(-c2ccccc2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
146	89.000	O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
147	313.000	O=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
148	34.000	O=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
149	2350.000	Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
150	2080.000	O=C(NCCN1C(=O)C=CC1=O)c1cc2ccccc2[nH]1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
151	4030.000	S=C(SSC(=S)N1CCOCC1)N1CCOCC1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
152	19.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4c(F)n(C)nc4cc3Cl)n(Cc3...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
153	14.000	CCn1cc2cc(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
154	9.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(CC(F)F)nc4cc3Cl)n(C...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
155	5.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
156	10.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
157	15.000	Cn1cnc(Cn2c(=O)nc(NC3=CC4CCOC4C=C3Cl)n(Cc3cc(F...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
158	5.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
159	10.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
160	780.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3ccc...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
161	6.000	Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
162	4.000	Cn1cc2cc(Nc3nc(=O)n(Cc4cc5ccsc5[nH]c4=O)c(=O)n...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
163	14.000	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
164	2.000	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
165	12.000	Cn1cc2cc(Nc3nc(=O)n(-c4cncc5c4COC5)c(=O)n3Cc3c...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
166	9.000	Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
167	360.000	Cn1cc2cc(Nc3nc(=O)n(-c4cncc(C(F)(F)F)c4)c(=O)n...	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
168	100.000	Cn1cc2cc(Nc3nc(=O)n(Cc4cc(Cl)ccn4)c(=O)n3Cc3cc...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
169	140.000	CCNC(=O)Cn1c(=O)nc(Nc2cc3cn(C)nc3cc2Cl)n(Cc2cc...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
170	260.000	Cc1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
171	19.000	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
172	11.000	C=C(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
173	4.800	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
174	5.200	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
175	150.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
176	60.000	C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
177	36.000	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
178	13.000	CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
179	16.000	CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
180	77.000	CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
181	49.000	CC(C)(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
182	350.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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253	1200.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(O)cc1)C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
254	920.000	COc1ccc(OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
255	17.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
256	20.000	CCCCC(NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)NC(CC1CC...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
257	20.000	CC(C)(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CC1C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
258	2300.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
259	60.000	CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
260	34.000	COc1cccc2[nH]c(C(=O)NC(CCC(C)C)C(=O)NC(CC3CCNC...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
261	35.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)c...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
262	38.000	CC(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CC1CCNC...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
263	40.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1cccc(F...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
264	44.000	COc1cccc2[nH]c(C(=O)NC(CC3CCCCC3)C(=O)NC(CC3CC...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
265	45.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
266	47.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(Br)ccc2c1	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
267	50.000	O=C(Oc1cncc(Br)c1)c1ccco1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
268	51.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
269	53.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
270	53.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c1cc...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
271	53.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc2ccccc2s1	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
272	60.000	O=C(Oc1cncc(Cl)c1)c1ccco1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
273	60.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc...	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
274	65.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
275	65.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
276	74.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
277	79.000	COc1ccc(C(=O)OCC(=O)C(CC2CCNC2=O)NC(=O)C(CC(C)...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
278	80.000	O=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
279	82.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
280	83.000	COc1cccc2[nH]c(C(=O)N(C)C(CC(C)C)C(=O)NC(CC3CC...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
281	86.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
282	87.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
283	500.000	O=C(Oc1cncc(Cl)c1)c1cccs1	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
284	89.000	O=C(Oc1cncc(Cl)c1)c1ccc2c(ccn2S(=O)(=O)c2cccc(...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
285	91.000	CC(C)(C)CC(NC(=O)C1CCCO1)C(=O)NC(CC1CCNC1=O)C(...	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
286	95.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2s1	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
287	97.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
288	98.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
289	103.000	COc1cccc2[nH]c(C(=O)NC(Cc3ccccc3)C(=O)NC(CC3CC...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
290	105.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)c...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
291	108.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2oc1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
292	400.000	CC(=O)O[Hg]c1ccccc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
293	112.000	CCOCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
294	122.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
295	124.000	O=C(Oc1cncc(Cl)c1)c1cccc2ccccc12	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
296	131.000	COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)C(CCC(C)C)...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
297	140.000	CC(=O)N1Cc2ccccc2CC1C(=O)Oc1cncc(Cl)c1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
298	2200.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@...	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
299	164.000	O=C(Oc1cncc(Cl)c1)c1ccncc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
300	453.000	CC1(C)C2CN(C(=O)c3ccc4ccccc4c3)[C@@H](C(=O)N[C...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
301	52.000	CC1(C)C2CN(C(=O)COc3ccc4ccccc4c3)[C@@H](C(=O)N...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
302	17.000	CC1(C)C2CN(C(=O)CCc3cccc(F)c3)[C@@H](C(=O)N[C@...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
303	19.000	CC1(C)C2CN(C(=O)COc3cc(F)cc(F)c3)[C@@H](C(=O)N...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
304	13.000	CC1(C)C2CN(C(=O)COc3ccc(F)c(F)c3)[C@@H](C(=O)N...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
305	15.000	COc1ccc(OCC(=O)N2CC3C([C@@H]2C(=O)N[C@H](C=O)C...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
306	43.000	CC1(C)C2CN(C(=O)COc3cccc(C(F)(F)F)c3)[C@@H](C(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
307	37.000	COc1ccc(OCC(=O)N2CC3C([C@@H]2C(=O)N[C@H](C=O)C...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
308	15.000	CC1(C)C2CN(C(=O)COc3ccc(OC(F)(F)F)cc3)[C@@H](C...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
309	51.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)c(Br)c3)[C@@H](C(=O...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
310	13.000	CC1(C)C2CN(C(=O)COc3ccc(Br)cc3Cl)[C@@H](C(=O)N...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
311	19.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)cc3)[C@@H](C(=O)N[C...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
312	12.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)c(Cl)c3)[C@@H](C(=O...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
313	13.000	CC1(C)C2CN(C(=O)COc3ccc(Cl)cc3Cl)[C@@H](C(=O)N...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
314	749.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
315	153.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
316	299.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
317	526.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
318	196.000	COc1ccc(C=CC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
319	375.000	CN(C)c1ccc(C=CC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
320	7.600	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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322	7.600	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
323	378.000	CN(C)c1ccc(CCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H]...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
324	36.000	COc1ccc(OCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C=...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
325	69.000	COc1ccc(OC(C)C(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H]...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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329	17.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1C2CCCC2CN...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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331	20.000	Cc1cc(Cl)ccc1OCC(=O)N1CC2CCCC2[C@@H]1C(=O)N[C@...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
332	170.000	O=C(Oc1cncc(Cl)c1)c1cc2ccccc2o1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
333	900.000	CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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335	182.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
336	186.000	CC(C)CC(NC(=O)C(NC(=O)c1ccncc1)C(C)C)C(=O)NC(C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
337	200.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
338	1000.000	CCCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
339	205.000	COc1cccc(OC)c1C(=O)OCC(=O)C(CC1CCNC1=O)NC(=O)C...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
340	208.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
341	200.000	Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
342	220.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
343	230.000	O=C(Oc1cncc(Cl)c1)c1ccc2cc[nH]c2c1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
344	230.000	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
345	1700.000	CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
346	240.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CC1)C(=O)N[C@@H](C[...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
347	260.000	Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
348	270.000	CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1CC...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
349	270.000	O=C(Oc1cncc(Cl)c1)c1cscn1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
350	1700.000	CCCC1CCC(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
351	300.000	Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
352	330.000	CC(C)C[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
353	333.000	O=C(Oc1cncc(Cl)c1)c1ccccc1[N+](=O)[O-]	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
354	340.000	CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC1C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
355	340.000	COc1cccc(C(=O)Oc2cncc(Cl)c2)c1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
356	370.000	Cc1ccc(S(=O)(=O)N2C=CC3C=C(C(=O)Oc4cncc(Cl)c4)...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
357	390.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
358	70.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
359	400.000	CC(=O)n1ccc2cc(C(=O)Oc3cncc(Cl)c3)ccc21	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
360	2200.000	CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@@H]...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
361	650.000	O=c1c2ccccc2[se]n1CCO	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
362	410.000	O=C(O)Cn1[se]c2ccccc2c1=O	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
363	350.000	O=C(O)CCn1[se]c2ccccc2c1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
364	130.000	O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
365	150.000	O=c1c2ccccc2[se]n1-c1cccc([N+](=O)[O-])c1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
366	260.000	O=c1c2ccccc2[se]n1-c1ccc([N+](=O)[O-])cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
367	240.000	O=c1c2ccccc2[se]n1CCN1CCOCC1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
368	330.000	CC(C)(C)OC(=O)NCn1[se]c2ccccc2c1=O	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
369	74.000	O=c1c2ccccc2[se]n1Cc1ccco1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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371	780.000	Cn1sc2ccccc2c1=O	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
372	730.000	CCCn1sc2ccccc2c1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
373	410.000	O=c1c2ccccc2sn1CCO	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
374	480.000	CC(C)Cn1sc2ccccc2c1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
375	630.000	C=CCn1sc2ccccc2c1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
376	130.000	Nc1ccccc1-n1sc2ccccc2c1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
377	170.000	O=c1c2ccccc2sn1Cc1ccccc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
378	330.000	Cc1ccc(-n2sc3ccccc3c2=O)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
379	390.000	O=c1c2ccccc2sn1-c1ccc(Cl)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
380	110.000	O=c1c2ccccc2sn1Cc1ccco1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
381	410.000	O=c1c2ccccc2sn1CCCc1ccccc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
382	490.000	O=c1c2ccccc2sn1-c1ccccc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
383	360.000	COC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
384	230.000	CCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
385	910.000	CCCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
386	380.000	O=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
387	2300.000	CC(C)C[C@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
388	434.000	O=C(Oc1cncc(Cl)c1)c1ccc(Cl)cc1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
389	1100.000	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
390	450.000	CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
391	1200.000	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H]...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
392	500.000	CN(C)c1ccc(C=CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
393	500.000	O=C(Oc1cncc(Br)c1)c1cccs1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
394	500.000	O=C(Oc1cncc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
395	508.000	CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C=...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
396	510.000	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H]...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
397	516.000	Clc1ccc(SSc2nnco2)cc1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
398	1000.000	CCOC(=O)/C=C/C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
399	600.000	CC[Hg]Sc1ccccc1C(=O)[O-]	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
400	600.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
401	650.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(N(C)C)c...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
402	3800.000	CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](C[C@@...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
403	670.000	CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
404	684.000	O=C(Oc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
405	684.000	Clc1ccc(SSc2ncccn2)cc1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
406	697.000	O=C(Oc1cncc(Cl)c1)c1cccnc1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
407	697.000	Brc1ccc(SSc2ncccn2)cc1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
408	700.000	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
409	700.000	COc1ncccc1-c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc3...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
410	750.000	COc1cccc(OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
411	820.000	CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](C=O)C[...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
412	883.000	O=[N+]([O-])c1ccccc1SSc1ncccn1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
413	900.000	O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(Cl)=C(Cl)Cl)...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
414	921.000	Cc1cc(C)nc(SSc2ccccc2[N+](=O)[O-])n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
415	950.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(I)cc21	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
416	970.000	CSCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
417	970.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2cccnc2)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
418	980.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2c(Br)cccc21	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
419	1028.000	CC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(=O)COC(=O...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
420	1040.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
421	1690.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
422	1076.000	COCC(=O)C(CC1CCNC1=O)NC(=O)C(CC(C)(C)C)NC(=O)C...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
423	1080.000	CC(=O)n1ccc2c(C(=O)Oc3cncc(Cl)c3)cccc21	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
424	1100.000	O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(I)cc21	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
425	1118.000	COC(=O)c1ccccc1SSc1nnco1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
426	1121.000	Cc1cc(C)nc(SSc2ccc(Br)cc2)n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
427	1180.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
428	1250.000	Cc1ccc(SSc2nccs2)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
429	1264.000	COC(=O)c1ccccc1SSc1nc(C)co1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
430	1270.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CCCC1)C(=O)N[C@@H](...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
431	7700.000	COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
432	2100.000	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
433	1437.000	Cc1cc(C)nc(SSc2ccc(Cl)cc2)n1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
434	1440.000	O=C(C=Cc1ccccc1)N[C@@H](CC1CCC1)C(=O)N[C@@H](C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
435	1460.000	CCCCCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(c...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
436	1495.000	Cc1ccc(SSc2nc(C)cc(C)n2)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
437	1500.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NCc2ccccc2...	1	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN
438	1500.000	CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
439	1500.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNc1ccccc1)C(C)...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
440	1506.000	CC(=O)Nc1cnc(SSc2ccccc2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
441	1522.000	Cc1ccc(SSc2ncccn2)cc1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
442	1557.000	CCOC(=O)c1ccccc1SSc1nnc(C)o1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
443	1651.000	CC(=O)Nc1cnc(SSc2ccc(Br)cc2)s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
444	1679.000	COC(=O)c1ccccc1SSc1nnc(C)o1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
445	1700.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc(C(=O)O)...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
446	1713.000	Cc1nnc(SSc2ccccc2[N+](=O)[O-])o1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
447	1762.000	CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1-c1cccnc1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
448	1871.000	Clc1ccc(SSc2nccs2)cc1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
449	1700.000	COc1ccccc1OCC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
450	1947.000	CC(=O)Nc1cnc(SSc2ccccc2[N+](=O)[O-])s1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
451	1950.000	O=C(C=Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
452	1991.000	Cc1cc(C)nc(SSc2ccccc2)n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
453	2000.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2c1cccc2[N+](=O)[O-]	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
454	2000.000	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
455	2000.000	Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+]...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
456	2000.000	CC(O)C(NC(=O)CCC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
457	2000.000	CC(O)C(NC(=O)CC(O)C(=O)NC(C(=O)N[C@@H](Cc1cccc...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
458	2000.000	CC(O)C(NC(=O)C(O)C(O)C(=O)NC(C(=O)N[C@@H](Cc1c...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
459	2000.000	COc1c(Sc2nnnn2-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]c...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
460	2000.000	Cc1nc(C(=O)[C@@H](C[C@H]2CCNC2=O)NC(=O)[C@@H](...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
461	2029.000	O=[N+]([O-])c1ccccc1SSc1nccs1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
462	2075.000	COC(=O)c1nc(SSc2ccccc2[N+](=O)[O-])[nH]c1C	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
463	2100.000	CNc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
464	2150.000	Cn1sc(=O)n(Cc2ccccc2)c1=O	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
465	2200.000	CCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2c...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
466	2211.000	Fc1ccc(SSc2nccs2)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
467	2250.000	CC1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
468	2390.000	CC(C)(C)OC(=O)Nc1cccn(C(CC2CCCCC2)C(=O)NC(CC2C...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
469	2452.000	CCOC(=O)c1ccccc1SSc1nc(C)cs1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
470	2500.000	CC1=C(C(=O)OCCc2ccccc2)C(c2ccccc2[N+](=O)[O-])...	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
471	4400.000	O=[N+]([O-])C(Br)(CO)CO	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
472	2500.000	Clc1ccc(C2C(n3ccnc3)C(c3ccc(Br)cc3)=NN2c2ccc(C...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
473	2555.000	Cc1csc(SSc2ccccc2[N+](=O)[O-])n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
474	2565.000	CC(=O)Nc1cnc(SSc2ccc(F)cc2)s1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
475	2600.000	Nc1nc2nc3nc(N)sc3cc2s1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
476	2626.000	CC(=O)Nc1cnc(SSc2ccc(Cl)cc2)s1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
477	2630.000	O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
478	2700.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
479	2803.000	CC(=O)Nc1cnc(SSc2ccc(C)cc2)s1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
480	2820.000	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)C1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
481	2880.000	CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(COC3OCC(O)...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
482	2900.000	CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
483	2900.000	CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
484	2900.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1cccnc1)C(C)...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
485	3000.000	O=C(Sc1nnc(C(F)(F)F)[nH]1)c1ccc(C#Cc2ccccc2)o1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
486	3000.000	O=C(CSc1nccc(-c2csc(-c3ccccc3)n2)n1)Nc1cc(Cl)c...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
487	3000.000	O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
488	3020.000	O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
489	5500.000	COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
490	3130.000	CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1C	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
491	3180.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2OC(=O...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
492	3290.000	C/C1=C2/[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
493	3300.000	COc1ccccc1N=Cc1nc(-c2ccccc2)oc1OC(C)=O	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
494	3321.000	Brc1ccc(SSc2nccs2)cc1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
495	3400.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC1CCN...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
496	3400.000	COCCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C)c2cc...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
497	3400.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccc([N+](=O...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
498	3600.000	CC(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc3...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
499	3675.000	CCOC(=O)c1c[nH]c(SSc2ccc(Cl)cc2)n1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
500	3800.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
501	3957.000	COC(=O)c1ccccc1SSc1nc(C(=O)OC)c(C)[nH]1	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
502	4000.000	O=C(CC(SO)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
503	9900.000	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[...	1	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
504	4100.000	O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
505	4100.000	CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
506	4100.000	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
507	4100.000	COc1ccc(SSc2nc(-c3ccccc3)n(C(C)=O)n2)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
508	4126.000	COC(=O)c1nc(SSc2ccc(Cl)cc2)[nH]c1C	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
509	4183.000	CC(=O)n1nc(SSc2ccc(C)cc2)nc1-c1ccccc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
510	10300.000	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
511	4300.000	Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
512	4300.000	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)C1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
513	4450.000	O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
514	4511.000	CCOC(=O)c1ccccc1SSc1nc(-c2ccncc2)n(C(C)=O)n1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
515	4600.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
516	4600.000	COc1cc(C(=S)N2CCOCC2)ccc1O	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
517	4620.000	O=C1O[C@H]2C(O)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
518	4700.000	CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2...	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
519	4820.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(F)cc21	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
520	5000.000	Cc1noc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)s2)c1[N...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
521	5200.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccc(Cl)o1)c1...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
522	5470.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC(=O)C=C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
523	5500.000	N#Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(=O)O)cc3...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
524	5520.000	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
525	10600.000	CCOc1cccc(C(=O)c2ccc(O)c(O)c2O)c1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
526	5654.000	CCOC(=O)c1ccccc1SSc1nc(-c2cccnc2)n(C(C)=O)n1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
527	5700.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
528	5700.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
529	5730.000	CCCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC1...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
530	5794.000	COc1ccc(SSc2nc(-c3cccnc3)n(C(C)=O)n2)cc1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
531	5850.000	C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)...	1	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN
532	3900.000	CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
533	5954.000	CCOC(=O)c1ccccc1SSc1nc(C(=O)OC)c(C)[nH]1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
534	5950.000	O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
535	14400.000	O=C(CCl)N1CCN(Cc2ccsc2)CC1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
536	4700.000	O=C(CCl)N1N=C(c2cccs2)CC1c1cccs1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
537	37500.000	O=C(CCl)N1CCc2sccc2C1c1cccs1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
538	55000.000	O=C(CCl)N1CCc2sccc2C1c1ccccc1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
539	46400.000	O=C(CCl)N1N=C(c2ccco2)CC1c1cccs1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
540	80900.000	O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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542	42100.000	N#Cc1ccc(C=C[N+](=O)[O-])cc1	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
543	47500.000	COc1ccc(C=C[N+](=O)[O-])cc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
544	45900.000	COc1cc(C=C[N+](=O)[O-])cc(OC)c1OC	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
545	14600.000	O=[N+]([O-])C=Cc1cccc(Br)c1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
546	142000.000	Cc1ccc(S(=O)(=O)C(C#N)=Cc2cccnc2)cc1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
547	2190.000	CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
548	4740.000	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
549	5360.000	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
550	7540.000	CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
551	320.000	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
552	25500.000	Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
553	17900.000	CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
554	39900.000	CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
555	7590.000	CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
556	14600.000	CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
557	5540.000	CC(C)C[C@@H](C(=O)N(C)N(C)C#N)N(C)C(=O)c1ccc(-...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
558	14800.000	CN1C(=O)C(NC(=O)OCc2ccccc2)CCN1C#N	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
559	6570.000	CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
560	100000.000	CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
561	24500.000	N#CSc1nc2ccccc2c(=S)s1	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
562	1450.000	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(C)N(C#N)CCC(N)=O	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
563	2330.000	CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)CCC...	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
564	775.000	CC(C)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
565	236.000	CN(C(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccc...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
566	37.000	CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(...	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
567	38.000	CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
568	1600.000	N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)c(Cl)c3)o2)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
569	19800.000	CC(=O)OCC1O[C@@H](CS[Au])[C@@H](OC(C)=O)C(OC(C...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
570	22500.000	Cn1c(=O)c2c(nc3n(CC#Cc4ccc(Cl)c(Cl)c4)ccn23)n(...	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
571	21700.000	O=C(Oc1cncc(Cl)c1)c1c[nH]c2ccccc12	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
572	1930.000	O=C(Oc1cncc(Cl)c1)c1ccc2[nH]ccc2c1	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
573	227.000	O=C(Oc1cncc(Br)c1)c1cccc2[nH]ccc12	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
574	354.000	O=C(Oc1cncc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
575	23.000	O=C(Oc1cncc(Cl)c1)c1cc2c(Cl)cc(Cl)cc2[nH]1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
576	6000.000	Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
577	6000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C1=NC=NC1)c1cc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
578	6100.000	N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccc([N+](=O)[O-])c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
579	6200.000	CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2c...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
580	6270.000	O=C(C=Cc1ccccc1)N[C@H](C(=O)N[C@@H](C[C@@H]1CC...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
581	6500.000	Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
582	6680.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2O)C(O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
583	6800.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
584	6810.000	COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
585	6800.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
586	6860.000	COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4cccc(C(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
587	6900.000	CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
588	7000.000	COC(=O)c1cc2c(O)cc(C(F)(F)F)nc2o1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
589	7000.000	O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2c(=O...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
590	7000.000	O=C1C=CC(=O)c2cn(Cc3ccccc3)cc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
591	7000.000	Cc1c(C(=O)CC2OC(=O)C(Cl)=C2Cl)sc2ccc(Cl)cc12	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
592	7200.000	COc1cc(CS(=O)c2nc3cccnc3s2)oc(=O)c1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
593	7200.000	Cc1noc(C)c1CN1C(=O)C(=O)c2cc(C#N)ccc21	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
594	24670.000	Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
595	14160.000	C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
596	31450.000	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
597	12460.000	CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
598	16140.000	N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
599	7500.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CNCc1ccccc1)C(C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
600	7600.000	CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Sc1c(Cl)c(Cl)cc(Cl)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
601	7720.000	CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
602	7900.000	O=C(Oc1cccnc1)C1CCCO1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
603	7960.000	CC1=CC(=O)c2ccccc2C1=O	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
604	3140.000	CCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
605	8000.000	CCCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
606	8100.000	CCCCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
607	8100.000	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
608	10000.000	C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
609	8300.000	O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
610	8400.000	O=C(O)c1ccc(C=C2C(=O)N(c3cccc([N+](=O)[O-])c3)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
611	8400.000	CCn1c(NCc2ccc(N3N=C(c4ccccc4)CC3c3ccccc3)cc2)n...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
612	8500.000	CCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C@@...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
613	10130.000	S=C=NCCc1ccccc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
614	9000.000	CCOc1ccc(C(=O)c2ccc(O)c(O)c2O)cc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
615	9090.000	O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
616	25000.000	O=C1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
617	9100.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
618	9190.000	O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
619	9200.000	CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H](NCc2ccccc2...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
620	9200.000	O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
621	9400.000	O=C1C(=O)N(Cc2ccc(F)cc2Cl)c2ccc(I)cc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
622	9500.000	O=C(O[C@H]1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
623	9560.000	COc1ccc(C(c2c(O)c3cc(C)ccc3oc2=O)c2c(O)c3cc(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
624	9680.000	C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe](Cl)n3c(c(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
625	9800.000	COc1ccc2c(c1)CCC1C2=NN(C(C)=O)C1c1cccc(I)c1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
626	9840.000	NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
627	9910.000	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
628	9960.000	O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
629	10000.000	Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
630	10000.000	CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H]...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
631	10000.000	Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)[nH]n1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
632	10000.000	CC(C)(C)NC(=O)C(c1ccnnc1)N(C(=O)c1ccco1)c1ccc(...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
633	10000.000	Cn1nc(-c2ccc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)s...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
634	10000.000	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
635	10000.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
636	10000.000	O=c1[nH]c2ccccc2c(O)c1Sc1nnnn1-c1ccc(OCc2ccccc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
637	10000.000	O=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1Sc1nnnn1-c1ccc(O...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
638	10070.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
639	10170.000	CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C=Cc3cc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
640	10200.000	CCCN1C(=O)C(=O)c2cc(C(N)=O)ccc21	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
641	10300.000	CC(C)COC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3cccc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
642	10380.000	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
643	10690.000	CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
644	10600.000	N#Cc1c(-c2cccc([N+](=O)[O-])c2)nc(SCc2ccc([N+]...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
645	10680.000	C#CC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](C[C@@...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
646	10800.000	O=C(O)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2cccc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
647	11000.000	CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
648	11000.000	CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
649	11000.000	CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)C(C(=O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
650	11040.000	C=CCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
651	11200.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2cccc(Cl)c21	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
652	11390.000	CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
653	11830.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
654	12000.000	O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(C...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
655	12000.000	COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(=O)O)cc3)C2...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
656	12000.000	CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
657	12500.000	COc1ncc(-c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
658	12500.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
659	12570.000	O=C(Nc1ccc(Cl)cc1)c1ccc(CN2C(=O)C(=O)c3cc(I)cc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
660	12660.000	O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
661	13000.000	CCOC(=O)C=CC(Cc1ccccc1)NC(=O)C(CC(=O)C(NC(=O)c...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
662	13000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCc1ccccc1)C(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
663	13000.000	O=C(Cc1cncc(Br)c1)c1ccc(-c2ccc(Cl)cc2)o1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
664	13000.000	Cc1ccc(S(=O)(=O)c2nc(C)c([N+](=O)[O-])c(C)c2C#...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
665	13000.000	Cc1nc(S(=O)(=O)c2ccccc2)c(C#N)c(C)c1[N+](=O)[O-]	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
666	13000.000	C=C(Cc1cccc(C)c1)C1=CC=C(c2ccc(C)cc2)C1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
667	13110.000	O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccccc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
668	13300.000	CC(C)(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
669	13320.000	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
670	13330.000	CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
671	13500.000	O=C1C(=O)N(CC2COc3ccccc3O2)c2ccc(I)cc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
672	13600.000	COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
673	13700.000	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
674	13740.000	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
675	13900.000	Nc1ncnc2[nH]c(C(F)(F)F)nc12	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
676	13900.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2cccc...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
677	13860.000	O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
678	13860.000	CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCN(CCc4ccccc4)CC...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
679	14000.000	O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
680	14000.000	Cc1csc(-c2nc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)c...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
681	14400.000	Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
682	15000.000	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
683	15000.000	CSc1[nH]nc(NC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
684	15000.000	O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)[n+]([...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
685	15000.000	CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(Cl)cc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
686	15000.000	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
687	15000.000	O=C(CSc1nccc(-c2cc(-c3ccccc3)no2)n1)Nc1ccc(Cl)cc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
688	15000.000	O=C(CSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1)Nc1c...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
689	15000.000	O=C(CSc1nccc(-c2cc(-c3ccccc3Cl)no2)n1)Nc1ccc(C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
690	15250.000	CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
691	15500.000	O=C(ON1C(=O)CCC1=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
692	15750.000	CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
693	16000.000	CC1(C)CC(=O)c2c(NCc3ccco3)sc(C#N)c2C1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
694	16000.000	O=C(O)c1ccc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
695	16000.000	CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)c2ccc(/N=C/C...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
696	16000.000	CC(=O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
697	16900.000	N#Cc1c(-c2ccc(Cl)cc2)nc(SCCc2ccccc2)[nH]c1=O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
698	17100.000	CC1=CC(=O)c2c(O)cccc2C1=O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
699	17200.000	Cc1cc2cc(CN(CCc3ccccc3C)C(=O)NCc3ccccc3)c(=O)[...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
700	17380.000	CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc([N+](=O)[O-])o...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
701	17500.000	O=C1C(=O)N(Cc2ccc(C(=O)N3CCCCC3)s2)c2ccc(I)cc21	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
702	17800.000	CCCCN1C(=O)C(=O)c2cc(C(N)=O)ccc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
703	17820.000	CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc3...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
704	17930.000	O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
705	18000.000	CSc1nn(-c2c([N+](=O)[O-])c(C)nn2C)c(-c2cccs2)c...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
706	18000.000	O=S(=O)(Cc1[nH]c(-c2ccc(Cl)s2)c[s+]1)c1cccs1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
707	18000.000	CCOC(=O)C1OC1C(=O)N(CCC(N)=O)NC(=O)[C@H](Cc1cc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
708	18000.000	O=S(=O)(Cc1nc(-c2ccc(Cl)s2)cs1)c1cccs1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
709	18000.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
710	18020.000	CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
711	18200.000	Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
712	18200.000	O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
713	18280.000	O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
714	19180.000	Cc1cc(OC(CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)c...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
715	20000.000	O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
716	20000.000	Cc1nn(C)c(NCc2ccc(-c3cccs3)s2)c1[N+](=O)[O-]	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
717	20000.000	O=C(NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
718	20300.000	COc1ccc(-c2nc(SCCc3ccccc3)[nH]c(=O)c2C#N)cc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
719	20770.000	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
720	21100.000	CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
721	21490.000	COc1cc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
722	21520.000	Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
723	21520.000	O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
724	21520.000	O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
725	21520.000	CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
726	21700.000	Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
727	22100.000	O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
728	22270.000	Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
729	24800.000	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)CO	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
730	22500.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
731	23000.000	C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
732	23000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
733	23500.000	O=C1C(=O)N(C/C=C/c2cc3ccccc3s2)c2ccc(I)cc21	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
734	23500.000	COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
735	23540.000	CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
736	23800.000	O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
737	24000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
738	24000.000	COc1ccc(C=CC(=O)NC(CC(C)C)C(=O)N[C@H](Cc2ccccc...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
739	24000.000	CC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
740	24140.000	CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
741	24150.000	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
742	24150.000	CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
743	24300.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
744	24330.000	COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
745	24900.000	NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(-c3cccc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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747	25000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
748	25000.000	Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cc...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
749	25000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
750	25000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
751	25000.000	O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
752	25300.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
753	26000.000	CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
754	26300.000	COc1ccc(-c2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
755	27100.000	CCCCCCCc1ccc(CCc2cccc(O)c2C(=O)O)cc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
756	27770.000	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
757	28000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
758	28000.000	O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)c1cncc(Br)c1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
759	28100.000	CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
760	28850.000	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
761	30000.000	CCCc1cc(O)nc(SCC(=O)Nc2ccc(Cl)cc2)n1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
762	31620.000	O=c1c(OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
763	31710.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cc...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
764	32000.000	CCOC(=O)C(=CNc1ccc(S(=O)(=O)c2ccc(/N=C/C(C(=O)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
765	32080.000	COc1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)C(=O)N4...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
766	32000.000	COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
767	34910.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(CCc4ccccc4)CC3)cc2C1=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
768	35000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
769	35200.000	N#Cc1c(-c2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
770	36000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccc([N+](=O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
771	38400.000	COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
772	37000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
773	38570.000	Cc1ccc(C(=O)NC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
774	39000.000	CCOC(=O)C=CC(Cc1ccccc1)NC(=O)C(Cc1ccc(F)cc1)NC...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
775	39000.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
776	39000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
777	38700.000	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
778	39200.000	NC(=O)Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
779	39480.000	O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
780	39870.000	O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(S(=O)(=O)N3CC...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
781	40000.000	O=C(Cc1nccs1)c1nccs1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
782	40000.000	CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)C(F)(F)F	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
783	40000.000	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
784	40000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
785	40000.000	Cc1cccc(C)c1OCC(=O)N[C@H](Cc1ccccc1)CC(O)[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
786	40000.000	COc1cccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[n...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
787	40000.000	CC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
788	40000.000	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
789	41390.000	Cc1ccc(C(=O)NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
790	41800.000	CCCCN1C(=O)C(=O)c2cc(I)ccc21	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
791	42000.000	O=C(O)c1ccc(C=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
792	42190.000	O=C(NC(Nc1ccccc1)C(=O)O)C(=CC=Cc1ccccc1)NC(=O)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
793	42790.000	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)o...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
794	45000.000	CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
795	45000.000	COc1ccc(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)cc1OC	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
796	46000.000	CCOC(=O)c1cc(=O)oc2cc(O)c(O)cc12	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
797	47000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ncco1)c1ccc(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
798	48000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
799	49000.000	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
800	49000.000	Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
801	49600.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
802	49960.000	CC(=O)CCC(=O)N1N=C(c2c(O)nc3ccc(C)cc3c2-c2cccc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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804	50000.000	CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccs1)c1ccc(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
805	51330.000	O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
806	53000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
807	56000.000	O=c1c(O)cc(C2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c(C3Oc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
808	56240.000	Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c(Br)c1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
809	57000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
810	57000.000	O=C(c1ccc(-c2ccc(Cl)cc2)o1)C(F)(F)c1cncc(Br)c1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
811	58350.000	Nc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
812	60000.000	COc1cccc(-c2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
813	60000.000	CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
814	61460.000	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)o...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
815	62000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
816	63000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
817	62790.000	COc1cc(C2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
818	64000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
819	67200.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2cccc...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
820	68000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
821	70000.000	CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
822	70000.000	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
823	71000.000	CN1C(=O)C(=O)c2cc(C(N)=O)ccc21	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
824	72300.000	COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(O)cc...	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
825	75000.000	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
826	75000.000	O=C(Cc1cncc(Br)c1)c1cnc(-c2ccc(Cl)cc2)o1	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
827	75000.000	Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NC(C)(...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
828	76740.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
829	77090.000	COc1cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)cc...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
830	80000.000	CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
831	80000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
832	80460.000	COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1=Cc1ccc(OCC(=...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
833	82910.000	CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc3...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
834	85000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)Oc1ccccc1)C(C)C...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
835	89100.000	Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
836	90720.000	O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)NC...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
837	95000.000	CCCCN(C)C[C@H]1O[C@H](CN[C@H](C=O)Cc2c[nH]cn2)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
838	100000.000	Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
839	100000.000	Cn1c(=O)c2c(ncn2C)n(C)c1=O	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
840	100000.000	Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
841	100000.000	O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
842	100000.000	O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1c...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
843	100000.000	Cn1c(=O)c2[nH]cnc2n(C)c1=O	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
844	100000.000	Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
845	101380.000	Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2c...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
846	108000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
847	128900.000	CC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(CO)CCC[...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
848	135000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
849	135000.000	O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
850	137700.000	C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCC(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
851	163200.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C=O)[C@@...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
852	175000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@H]2CCCC[C@@H]...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
853	189100.000	CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
854	200000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
855	200000.000	Cc1cc(O)nc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
856	200000.000	CC(C)c1ccc(NC(=O)CSc2nccc(-c3csc(COc4ccccc4Cl)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
857	200000.000	COC(OC)c1cc(O)nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
858	200000.000	CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
859	200000.000	N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
860	207000.000	COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
861	210000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
862	220800.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)[C@@H...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
863	226700.000	C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
864	233400.000	CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
865	240000.000	O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@@H]2CCCC[C@H]...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
866	250000.000	CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1N	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
867	250000.000	CC(C)COC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
868	260000.000	CCCCN(C)C[C@H]1O[C@@H](CN[C@H](C=O)Cc2c[nH]cn2...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
869	260000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
870	280000.000	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCC(C)(C)C)C(C)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
871	280800.000	O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
872	283500.000	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
873	300000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc1ccccc1)NC(=...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
874	300000.000	CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
875	300000.000	COc1cccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
876	300000.000	CC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc...	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
877	350000.000	CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O...	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
878	400000.000	COc1ccc(-c2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
879	440000.000	CCCCN(C)C[C@@H]1O[C@@H](CN[C@H](C=O)Cc2c[nH]cn...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
880	500000.000	Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2F)n1	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
881	800000.000	CCOC(=O)C=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)C(CC=C...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
882	870000.000	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
883	2000000.000	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(...	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

884 rows × 884 columns

df9.bioactivity

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Name: bioactivity, dtype: int64

df9.head(2)

	activity	SMILES	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	1600.0	O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)S(=O)(=O)F...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	180.0	O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCl)CCN1c1ccc(Cl)...	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

2 rows × 884 columns

df10=df9.drop('SMILES',axis=1)

df10

	activity	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	1600.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	180.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
2	310.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
3	2800.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
4	400.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
5	5100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
6	92.000	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
7	0.270	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
8	530.000	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
9	670.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
10	8.000	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
11	30.000	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
12	10960.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
13	670.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
14	6600.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
15	26100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
16	5800.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
17	9200.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
18	7400.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
19	16900.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
20	3600.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
21	1600.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
22	35300.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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788	40000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
789	41390.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
790	41800.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
791	42000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
792	42190.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
793	42790.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
794	45000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
795	45000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
796	46000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
797	47000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
798	48000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
799	49000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
800	49000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
801	49600.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
802	49960.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
803	50000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
804	50000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
805	51330.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
806	53000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
807	56000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
808	56240.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
809	57000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
810	57000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
811	58350.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
812	60000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
813	60000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
814	61460.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
815	62000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
816	63000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
817	62790.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
818	64000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
819	67200.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
820	68000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
821	70000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
822	70000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
823	71000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
824	72300.000	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
825	75000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
826	75000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
827	75000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
828	76740.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
829	77090.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
830	80000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
831	80000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
832	80460.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
833	82910.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
834	85000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
835	89100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
836	90720.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
837	95000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
838	100000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
839	100000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
840	100000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
841	100000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
842	100000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
843	100000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
844	100000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
845	101380.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
846	108000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
847	128900.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
848	135000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
849	135000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
850	137700.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
851	163200.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
852	175000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
853	189100.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
854	200000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
855	200000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
856	200000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
857	200000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
858	200000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
859	200000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
860	207000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
861	210000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
862	220800.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
863	226700.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
864	233400.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
865	240000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
866	250000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
867	250000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
868	260000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
869	260000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
870	280000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
871	280800.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
872	283500.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
873	300000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
874	300000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
875	300000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
876	300000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
877	350000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
878	400000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
879	440000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
880	500000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
881	800000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
882	870000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
883	2000000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

884 rows × 883 columns

#To know the number of unique values in a particulat column
#df10.bioactivity.value_counts()

len(df10)

884

df10

	activity	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	1600.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	180.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
2	310.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
3	2800.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
4	400.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
5	5100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
6	92.000	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
7	0.270	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
8	530.000	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
9	670.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
10	8.000	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
11	30.000	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
12	10960.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
13	670.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
14	6600.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
15	26100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
16	5800.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
17	9200.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
18	7400.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
19	16900.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
20	3600.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
21	1600.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
22	35300.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
23	13300.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
24	31100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
25	10200.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
26	9000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
27	7900.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
28	5200.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
29	3000.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
30	9700.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
31	6600.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
32	45700.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
33	5300.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
34	2800.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
35	2300.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
36	4100.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
37	42100.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
38	700.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
39	10100.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
40	24200.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
41	600.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
42	500.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
43	22900.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
44	200.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
45	280.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
46	510.000	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
47	560.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
48	660.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
49	670.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
50	810.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
51	940.000	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
52	960.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
53	1050.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
54	1480.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
55	1810.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
56	1970.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
57	2140.000	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
58	2390.000	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
59	2470.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
60	2510.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
61	2540.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
62	2680.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
63	3860.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
64	4100.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
65	4930.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
66	4970.000	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
67	5370.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
68	5460.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
69	5700.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
70	5820.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
71	7270.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
72	7490.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
73	7810.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
74	8130.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
75	12090.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
76	13240.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
77	21880.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
78	35100.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
79	21280.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
80	300.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
81	25020.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
82	17500.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
83	10760.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
84	8080.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
85	9690.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
86	10880.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
87	17530.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
88	9090.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
89	4140.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
90	5810.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
91	7090.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
92	8760.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
93	10400.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
94	10300.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
95	1550.000	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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859	200000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
860	207000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
861	210000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
862	220800.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
863	226700.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
864	233400.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
865	240000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
866	250000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
867	250000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
868	260000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
869	260000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
870	280000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
871	280800.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
872	283500.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
873	300000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
874	300000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
875	300000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
876	300000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
877	350000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
878	400000.000	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
879	440000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
880	500000.000	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
881	800000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
882	870000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
883	2000000.000	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

884 rows × 883 columns

IC50 to pIC50

import numpy as np

def pIC50(input):
    pIC50 = []

    for i in input['activity_norm']:
        molar = i*(10**-9) # Converts nM to M
        pIC50.append(-np.log10(molar))

    input['pIC50'] = pIC50
    x = input.drop('activity_norm', 1)
        
    return x

df10.activity.describe()

count    8.840000e+02
mean     2.538614e+04
std      9.276075e+04
min      1.300000e-02
25%      3.675000e+02
50%      4.100000e+03
75%      1.759750e+04
max      2.000000e+06
Name: activity, dtype: float64

def norm_value(input):
    norm = []

    for i in input['activity']:
        if i > 100000000:
          i = 100000000
        norm.append(i)

    input['activity_norm'] = norm
    x = input.drop('activity', 1)
        
    return x

dfAct=norm_value(df10)
dfAct

C:\Users\USER\AppData\Local\Temp\ipykernel_7216\3071571992.py:10: FutureWarning: In a future version of pandas all arguments of DataFrame.drop except for the argument 'labels' will be keyword-only.
  x = input.drop('activity', 1)

	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	PubchemFP8	...	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880	activity_norm
0	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1600.000
1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	180.000
2	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	310.000
3	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2800.000
4	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	400.000
5	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5100.000
6	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	92.000
7	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.270
8	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	530.000
9	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	670.000
10	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.000
11	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	30.000
12	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10960.000
13	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	670.000
14	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6600.000
15	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	26100.000
16	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5800.000
17	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9200.000
18	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7400.000
19	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16900.000
20	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3600.000
21	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1600.000
22	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	35300.000
23	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13300.000
24	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	31100.000
25	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10200.000
26	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9000.000
27	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7900.000
28	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5200.000
29	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3000.000
30	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9700.000
31	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6600.000
32	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	45700.000
33	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5300.000
34	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2800.000
35	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2300.000
36	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4100.000
37	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	42100.000
38	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	700.000
39	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10100.000
40	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24200.000
41	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	600.000
42	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	500.000
43	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	22900.000
44	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200.000
45	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	280.000
46	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	510.000
47	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	560.000
48	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	660.000
49	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	670.000
50	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	810.000
51	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	940.000
52	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	960.000
53	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1050.000
54	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1480.000
55	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1810.000
56	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1970.000
57	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2140.000
58	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2390.000
59	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2470.000
60	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2510.000
61	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2540.000
62	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2680.000
63	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3860.000
64	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4100.000
65	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4930.000
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102	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	32530.000
103	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40590.000
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105	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
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107	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5780.000
108	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5440.000
109	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	670.000
110	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4130.000
111	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15.000
112	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	940.000
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114	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	143.000
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120	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	349.000
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122	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	147.000
123	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1220.000
124	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	281.000
125	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	316.000
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128	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	250.000
129	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	235.000
130	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	454.000
131	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11.000
132	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	88.000
133	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2030.000
134	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18.000
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137	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14.000
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140	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	551.000
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142	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	166.000
143	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	255.000
144	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	190.000
145	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	125.000
146	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	89.000
147	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	313.000
148	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	34.000
149	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2350.000
150	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2080.000
151	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4030.000
152	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	19.000
153	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14.000
154	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.000
155	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000
156	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10.000
157	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15.000
158	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000
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160	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	780.000
161	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.000
162	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000
163	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14.000
164	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.000
165	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12.000
166	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.000
167	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	360.000
168	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100.000
169	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	140.000
170	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	260.000
171	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	19.000
172	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11.000
173	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.800
174	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.200
175	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	150.000
176	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60.000
177	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	36.000
178	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13.000
179	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16.000
180	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	77.000
181	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	49.000
182	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	350.000
183	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.400
184	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	650.000
185	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	530.000
186	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	160.000
187	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	52.000
188	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	66.000
189	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	30.000
190	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.500
191	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15.000
192	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	33.000
193	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60.000
194	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	47.000
195	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	105.000
196	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.300
197	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40.000
198	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	360.000
199	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	620.000
200	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	75.000
201	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	370.000
202	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	720.000
203	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	120.000
204	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23.000
205	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17.000
206	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	26.000
207	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	180.000
208	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	150.000
209	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	22.000
210	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	45.000
211	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	59.000
212	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	97.000
213	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	120.000
214	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	720.000
215	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	180.000
216	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2390.000
217	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	180.000
218	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	124930.000
219	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1820.000
220	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15750.000
221	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9350.000
222	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21390.000
223	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6410.000
224	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	970.000
225	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	450.000
226	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	53.000
227	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40.000
228	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5730.000
229	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3900.000
230	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10690.000
231	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8600.000
232	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3140.000
233	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2400.000
234	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5000.000
235	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23500.000
236	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100700.000
237	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.000
238	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.013
239	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.440
240	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.440
241	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.790
242	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.610
243	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.000
244	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.350
245	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.400
246	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.590
247	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.480
248	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18.000
249	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4200.000
250	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000
251	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1700.000
252	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.000
253	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1200.000
254	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	920.000
255	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17.000
256	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20.000
257	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20.000
258	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2300.000
259	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60.000
260	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	34.000
261	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	35.000
262	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	38.000
263	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40.000
264	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	44.000
265	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	45.000
266	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	47.000
267	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	50.000
268	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	51.000
269	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	53.000
270	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	53.000
271	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	53.000
272	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60.000
273	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60.000
274	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	65.000
275	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	65.000
276	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	74.000
277	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	79.000
278	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	80.000
279	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	82.000
280	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	83.000
281	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	86.000
282	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	87.000
283	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	500.000
284	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	89.000
285	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	91.000
286	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	95.000
287	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	97.000
288	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	98.000
289	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	103.000
290	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	105.000
291	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	108.000
292	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	400.000
293	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	112.000
294	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	122.000
295	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	124.000
296	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	131.000
297	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	140.000
298	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2200.000
299	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	164.000
300	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	453.000
301	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	52.000
302	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17.000
303	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	19.000
304	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13.000
305	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15.000
306	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	43.000
307	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	37.000
308	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15.000
309	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	51.000
310	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13.000
311	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	19.000
312	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12.000
313	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13.000
314	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	749.000
315	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	153.000
316	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	299.000
317	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	526.000
318	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	196.000
319	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	375.000
320	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.600
321	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17.000
322	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.600
323	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	378.000
324	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	36.000
325	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	69.000
326	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	94.000
327	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.200
328	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	35.000
329	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17.000
330	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	30.000
331	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20.000
332	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	170.000
333	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	900.000
334	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	710.000
335	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	182.000
336	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	186.000
337	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200.000
338	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1000.000
339	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	205.000
340	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	208.000
341	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200.000
342	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	220.000
343	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	230.000
344	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	230.000
345	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1700.000
346	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	240.000
347	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	260.000
348	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	270.000
349	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	270.000
350	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1700.000
351	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	300.000
352	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	330.000
353	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	333.000
354	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	340.000
355	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	340.000
356	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	370.000
357	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	390.000
358	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	70.000
359	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	400.000
360	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2200.000
361	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	650.000
362	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	410.000
363	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	350.000
364	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	130.000
365	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	150.000
366	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	260.000
367	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	240.000
368	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	330.000
369	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	74.000
370	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	660.000
371	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	780.000
372	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	730.000
373	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	410.000
374	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	480.000
375	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	630.000
376	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	130.000
377	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	170.000
378	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	330.000
379	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	390.000
380	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	110.000
381	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	410.000
382	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	490.000
383	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	360.000
384	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	230.000
385	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	910.000
386	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	380.000
387	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2300.000
388	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	434.000
389	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1100.000
390	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	450.000
391	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1200.000
392	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	500.000
393	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	500.000
394	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	500.000
395	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	508.000
396	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	510.000
397	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	516.000
398	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1000.000
399	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	600.000
400	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	600.000
401	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	650.000
402	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3800.000
403	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	670.000
404	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	684.000
405	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	684.000
406	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	697.000
407	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	697.000
408	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	700.000
409	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	700.000
410	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	750.000
411	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	820.000
412	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	883.000
413	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	900.000
414	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	921.000
415	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	950.000
416	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	970.000
417	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	970.000
418	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	980.000
419	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1028.000
420	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1040.000
421	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1690.000
422	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1076.000
423	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1080.000
424	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1100.000
425	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1118.000
426	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1121.000
427	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1180.000
428	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1250.000
429	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1264.000
430	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1270.000
431	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7700.000
432	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2100.000
433	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1437.000
434	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1440.000
435	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1460.000
436	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1495.000
437	1	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	1500.000
438	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1500.000
439	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1500.000
440	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1506.000
441	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1522.000
442	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1557.000
443	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1651.000
444	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1679.000
445	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1700.000
446	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1713.000
447	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1762.000
448	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1871.000
449	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1700.000
450	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1947.000
451	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1950.000
452	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1991.000
453	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
454	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
455	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
456	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
457	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
458	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
459	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
460	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000.000
461	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2029.000
462	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2075.000
463	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2100.000
464	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2150.000
465	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2200.000
466	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2211.000
467	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2250.000
468	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2390.000
469	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2452.000
470	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2500.000
471	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4400.000
472	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2500.000
473	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2555.000
474	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2565.000
475	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2600.000
476	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2626.000
477	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2630.000
478	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2700.000
479	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2803.000
480	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2820.000
481	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2880.000
482	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2900.000
483	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2900.000
484	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2900.000
485	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3000.000
486	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3000.000
487	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3000.000
488	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3020.000
489	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5500.000
490	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3130.000
491	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3180.000
492	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3290.000
493	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3300.000
494	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3321.000
495	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3400.000
496	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3400.000
497	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3400.000
498	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3600.000
499	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3675.000
500	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3800.000
501	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3957.000
502	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4000.000
503	1	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9900.000
504	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4100.000
505	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4100.000
506	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4100.000
507	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4100.000
508	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4126.000
509	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4183.000
510	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10300.000
511	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4300.000
512	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4300.000
513	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4450.000
514	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4511.000
515	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4600.000
516	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4600.000
517	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4620.000
518	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4700.000
519	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4820.000
520	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5000.000
521	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5200.000
522	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5470.000
523	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5500.000
524	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5520.000
525	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10600.000
526	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5654.000
527	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5700.000
528	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5700.000
529	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5730.000
530	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5794.000
531	1	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	5850.000
532	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3900.000
533	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5954.000
534	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5950.000
535	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14400.000
536	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4700.000
537	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	37500.000
538	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	55000.000
539	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	46400.000
540	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	80900.000
541	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18200.000
542	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	42100.000
543	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	47500.000
544	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	45900.000
545	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14600.000
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549	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5360.000
550	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7540.000
551	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	320.000
552	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25500.000
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554	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39900.000
555	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7590.000
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557	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5540.000
558	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14800.000
559	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6570.000
560	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
561	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24500.000
562	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1450.000
563	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2330.000
564	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	775.000
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567	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	38.000
568	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1600.000
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570	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	22500.000
571	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21700.000
572	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1930.000
573	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	227.000
574	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	354.000
575	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23.000
576	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6000.000
577	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6000.000
578	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6100.000
579	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6200.000
580	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6270.000
581	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6500.000
582	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6680.000
583	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6800.000
584	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6810.000
585	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6800.000
586	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6860.000
587	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6900.000
588	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7000.000
589	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7000.000
590	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7000.000
591	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7000.000
592	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7200.000
593	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7200.000
594	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24670.000
595	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14160.000
596	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	31450.000
597	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12460.000
598	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16140.000
599	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7500.000
600	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7600.000
601	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7720.000
602	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7900.000
603	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7960.000
604	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3140.000
605	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8000.000
606	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8100.000
607	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8100.000
608	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
609	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8300.000
610	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8400.000
611	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8400.000
612	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8500.000
613	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10130.000
614	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9000.000
615	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9090.000
616	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25000.000
617	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9100.000
618	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9190.000
619	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9200.000
620	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9200.000
621	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9400.000
622	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9500.000
623	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9560.000
624	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9680.000
625	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9800.000
626	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9840.000
627	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9910.000
628	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9960.000
629	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
630	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
631	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
632	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
633	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
634	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
635	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
636	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
637	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10000.000
638	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10070.000
639	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10170.000
640	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10200.000
641	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10300.000
642	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10380.000
643	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10690.000
644	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10600.000
645	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10680.000
646	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10800.000
647	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11000.000
648	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11000.000
649	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11000.000
650	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11040.000
651	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11200.000
652	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11390.000
653	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11830.000
654	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12000.000
655	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12000.000
656	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12000.000
657	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12500.000
658	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12500.000
659	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12570.000
660	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	12660.000
661	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13000.000
662	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13000.000
663	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13000.000
664	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13000.000
665	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13000.000
666	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13000.000
667	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13110.000
668	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13300.000
669	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13320.000
670	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13330.000
671	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13500.000
672	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13600.000
673	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13700.000
674	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13740.000
675	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13900.000
676	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13900.000
677	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13860.000
678	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	13860.000
679	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14000.000
680	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14000.000
681	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	14400.000
682	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
683	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
684	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
685	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
686	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
687	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
688	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
689	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15000.000
690	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15250.000
691	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15500.000
692	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	15750.000
693	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16000.000
694	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16000.000
695	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16000.000
696	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16000.000
697	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	16900.000
698	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17100.000
699	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17200.000
700	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17380.000
701	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17500.000
702	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17800.000
703	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17820.000
704	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	17930.000
705	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18000.000
706	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18000.000
707	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18000.000
708	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18000.000
709	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18000.000
710	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18020.000
711	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18200.000
712	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18200.000
713	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18280.000
714	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	19180.000
715	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20000.000
716	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20000.000
717	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20000.000
718	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20300.000
719	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20770.000
720	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21100.000
721	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21490.000
722	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21520.000
723	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21520.000
724	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21520.000
725	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21520.000
726	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	21700.000
727	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	22100.000
728	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	22270.000
729	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24800.000
730	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	22500.000
731	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23000.000
732	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23000.000
733	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23500.000
734	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23500.000
735	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	23540.000
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738	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24000.000
739	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24000.000
740	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24140.000
741	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24150.000
742	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24150.000
743	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24300.000
744	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24330.000
745	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24900.000
746	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	24970.000
747	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25000.000
748	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25000.000
749	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25000.000
750	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25000.000
751	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25000.000
752	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	25300.000
753	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	26000.000
754	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	26300.000
755	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	27100.000
756	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	27770.000
757	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	28000.000
758	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	28000.000
759	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	28100.000
760	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	28850.000
761	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	30000.000
762	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	31620.000
763	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	31710.000
764	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	32000.000
765	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	32080.000
766	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	32000.000
767	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	34910.000
768	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	35000.000
769	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	35200.000
770	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	36000.000
771	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	38400.000
772	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	37000.000
773	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	38570.000
774	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39000.000
775	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39000.000
776	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39000.000
777	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	38700.000
778	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39200.000
779	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39480.000
780	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	39870.000
781	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
782	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
783	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
784	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
785	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
786	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
787	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
788	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	40000.000
789	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	41390.000
790	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	41800.000
791	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	42000.000
792	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	42190.000
793	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	42790.000
794	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	45000.000
795	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	45000.000
796	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	46000.000
797	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	47000.000
798	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	48000.000
799	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	49000.000
800	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	49000.000
801	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	49600.000
802	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	49960.000
803	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	50000.000
804	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	50000.000
805	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	51330.000
806	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	53000.000
807	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	56000.000
808	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	56240.000
809	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	57000.000
810	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	57000.000
811	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	58350.000
812	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60000.000
813	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	60000.000
814	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	61460.000
815	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	62000.000
816	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	63000.000
817	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	62790.000
818	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	64000.000
819	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	67200.000
820	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	68000.000
821	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	70000.000
822	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	70000.000
823	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	71000.000
824	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	72300.000
825	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	75000.000
826	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	75000.000
827	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	75000.000
828	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	76740.000
829	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	77090.000
830	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	80000.000
831	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	80000.000
832	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	80460.000
833	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	82910.000
834	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	85000.000
835	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	89100.000
836	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	90720.000
837	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	95000.000
838	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
839	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
840	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
841	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
842	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
843	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
844	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	100000.000
845	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	101380.000
846	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	108000.000
847	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	128900.000
848	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	135000.000
849	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	135000.000
850	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	137700.000
851	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	163200.000
852	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	175000.000
853	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	189100.000
854	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200000.000
855	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200000.000
856	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200000.000
857	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200000.000
858	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200000.000
859	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	200000.000
860	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	207000.000
861	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	210000.000
862	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	220800.000
863	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	226700.000
864	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	233400.000
865	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	240000.000
866	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	250000.000
867	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	250000.000
868	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	260000.000
869	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	260000.000
870	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	280000.000
871	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	280800.000
872	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	283500.000
873	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	300000.000
874	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	300000.000
875	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	300000.000
876	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	300000.000
877	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	350000.000
878	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	400000.000
879	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	440000.000
880	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	500000.000
881	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	800000.000
882	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	870000.000
883	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2000000.000

884 rows × 883 columns

dfAct.activity_norm.describe()

count    8.840000e+02
mean     2.538614e+04
std      9.276075e+04
min      1.300000e-02
25%      3.675000e+02
50%      4.100000e+03
75%      1.759750e+04
max      2.000000e+06
Name: activity_norm, dtype: float64

df11 = pIC50(dfAct)
df11

C:\Users\USER\AppData\Local\Temp\ipykernel_7216\1973795238.py:11: FutureWarning: In a future version of pandas all arguments of DataFrame.drop except for the argument 'labels' will be keyword-only.
  x = input.drop('activity_norm', 1)

	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	PubchemFP8	...	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880	pIC50
0	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.744727
2	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.508638
3	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.552842
4	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.397940
5	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.292430
6	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.036212
7	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.568636
8	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.275724
9	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
10	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.096910
11	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.522879
12	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.960189
13	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
14	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.180456
15	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.583359
16	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.236572
17	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036212
18	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.130768
19	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.772113
20	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.443697
21	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
22	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.452225
23	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.876148
24	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.507240
25	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.991400
26	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.045757
27	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.102373
28	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.283997
29	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.522879
30	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.013228
31	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.180456
32	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.340084
33	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.275724
34	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.552842
35	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.638272
36	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
37	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.375718
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437	1	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	5.823909
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509	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.378512
510	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.987163
511	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.366532
512	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.366532
513	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.351640
514	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.345727
515	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.337242
516	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.337242
517	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.335358
518	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.327902
519	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.316953
520	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.301030
521	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.283997
522	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.262013
523	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.259637
524	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.258061
525	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.974694
526	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.247644
527	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.244125
528	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.244125
529	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.241845
530	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.237022
531	1	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	...	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	5.232844
532	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.408935
533	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.225191
534	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.225483
535	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.841638
536	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.327902
537	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.425969
538	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.259637
539	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.333482
540	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.092051
541	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.739929
542	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.375718
543	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.323306
544	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.338187
545	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.835647
546	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.847712
547	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.659556
548	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.324222
549	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.270835
550	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.122629
551	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.494850
552	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.593460
553	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.747147
554	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.399027
555	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.119758
556	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.835647
557	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.256490
558	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.829738
559	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.182435
560	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
561	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.610834
562	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.838632
563	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.632644
564	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.110698
565	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.627088
566	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.431798
567	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.420216
568	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
569	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.703335
570	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.647817
571	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.663540
572	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.714443
573	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.643974
574	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.450997
575	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.638272
576	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.221849
577	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.221849
578	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.214670
579	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.207608
580	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.202732
581	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.187087
582	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.175224
583	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.167491
584	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.166853
585	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.167491
586	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.163676
587	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.161151
588	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.154902
589	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.154902
590	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.154902
591	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.154902
592	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.142668
593	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.142668
594	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.607831
595	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.848937
596	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.502379
597	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.904482
598	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.792096
599	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.124939
600	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.119186
601	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.112383
602	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.102373
603	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.099087
604	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.503070
605	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.096910
606	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.091515
607	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.091515
608	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
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610	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.075721
611	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.075721
612	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.070581
613	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.994391
614	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.045757
615	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.041436
616	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
617	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.040959
618	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036684
619	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036212
620	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036212
621	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.026872
622	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.022276
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624	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.014125
625	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.008774
626	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.007005
627	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.003926
628	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.001741
629	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
630	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
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632	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
633	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
634	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
635	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
636	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
637	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
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639	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.992679
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641	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.987163
642	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.983803
643	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.971022
644	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.974694
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646	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.966576
647	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.958607
648	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.958607
649	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.958607
650	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.957031
651	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.950782
652	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.943476
653	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.927015
654	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.920819
655	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.920819
656	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.920819
657	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.903090
658	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.903090
659	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.900665
660	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.897566
661	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.886057
662	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.886057
663	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.886057
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665	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.886057
666	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.886057
667	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.882397
668	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.876148
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671	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.869666
672	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.866461
673	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.863279
674	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.862013
675	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.856985
676	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.856985
677	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.858237
678	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.858237
679	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.853872
680	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.853872
681	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.841638
682	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
683	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
684	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
685	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
686	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
687	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
688	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
689	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
690	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.816730
691	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.809668
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693	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
694	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
695	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
696	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
697	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.772113
698	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.767004
699	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.764472
700	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.759950
701	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.756962
702	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.749580
703	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.749092
704	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.746420
705	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
706	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
707	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
708	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
709	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
710	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744245
711	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.739929
712	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.739929
713	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.738024
714	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.717151
715	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.698970
716	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.698970
717	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.698970
718	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.692504
719	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.682564
720	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.675718
721	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667764
722	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
723	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
724	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
725	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
726	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.663540
727	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.655608
728	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.652280
729	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.605548
730	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.647817
731	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.638272
732	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.638272
733	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.628932
734	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.628932
735	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.628194
736	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.623423
737	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.619789
738	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.619789
739	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.619789
740	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.617263
741	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.617083
742	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.617083
743	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.614394
744	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.613858
745	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.603801
746	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602581
747	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
748	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
749	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
750	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
751	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
752	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.596879
753	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.585027
754	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.580044
755	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.567031
756	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.556424
757	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.552842
758	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.552842
759	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.551294
760	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.539854
761	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.522879
762	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.500038
763	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.498804
764	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.494850
765	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.493766
766	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.494850
767	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.457050
768	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.455932
769	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.453457
770	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.443697
771	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.415669
772	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.431798
773	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.413750
774	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.408935
775	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.408935
776	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.408935
777	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.412289
778	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.406714
779	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.403623
780	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.399354
781	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
782	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
783	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
784	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
785	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
786	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
787	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
788	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
789	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.383105
790	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.378824
791	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.376751
792	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.374790
793	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.368658
794	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.346787
795	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.346787
796	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.337242
797	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.327902
798	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.318759
799	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.309804
800	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.309804
801	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.304518
802	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.301378
803	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.301030
804	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.301030
805	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.289629
806	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.275724
807	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.251812
808	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.249955
809	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.244125
810	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.244125
811	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.233959
812	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.221849
813	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.221849
814	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.211407
815	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.207608
816	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.200659
817	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.202110
818	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.193820
819	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.172631
820	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.167491
821	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.154902
822	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.154902
823	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.148742
824	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.140862
825	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
826	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
827	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
828	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.114978
829	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.113002
830	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.096910
831	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.096910
832	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.094420
833	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.081393
834	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.070581
835	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.050122
836	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.042297
837	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.022276
838	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
839	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
840	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
841	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
842	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
843	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
844	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
845	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.994048
846	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.966576
847	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.889747
848	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.869666
849	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.869666
850	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.861066
851	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.787280
852	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.756962
853	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.723308
854	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
855	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
856	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
857	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
858	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
859	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
860	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.684030
861	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.677781
862	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.656001
863	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.644548
864	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.631899
865	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.619789
866	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.602060
867	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.602060
868	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.585027
869	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.585027
870	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.552842
871	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.551603
872	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.547447
873	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
874	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
875	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
876	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
877	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.455932
878	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.397940
879	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.356547
880	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.301030
881	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.096910
882	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.060481
883	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.698970

884 rows × 883 columns

df11.pIC50.describe()

count    884.000000
mean       5.636672
std        1.212341
min        2.698970
25%        4.754559
50%        5.387216
75%        6.434773
max       10.886057
Name: pIC50, dtype: float64

df11.bioactivity.value_counts()

2    416
1    326
0    142
Name: bioactivity, dtype: int64

To know the number of unique values in a particulat column

df11.bioactivity.value_counts()

2    416
1    326
0    142
Name: bioactivity, dtype: int64

NULL values

df11.isna().sum()

bioactivity     0
PubchemFP0      2
PubchemFP1      2
PubchemFP2      2
PubchemFP3      2
PubchemFP4      2
PubchemFP5      2
PubchemFP6      2
PubchemFP7      2
PubchemFP8      2
PubchemFP9      2
PubchemFP10     2
PubchemFP11     2
PubchemFP12     2
PubchemFP13     2
PubchemFP14     2
PubchemFP15     2
PubchemFP16     2
PubchemFP17     2
PubchemFP18     2
PubchemFP19     2
PubchemFP20     2
PubchemFP21     2
PubchemFP22     2
PubchemFP23     2
PubchemFP24     2
PubchemFP25     2
PubchemFP26     2
PubchemFP27     2
PubchemFP28     2
PubchemFP29     2
PubchemFP30     2
PubchemFP31     2
PubchemFP32     2
PubchemFP33     2
PubchemFP34     2
PubchemFP35     2
PubchemFP36     2
PubchemFP37     2
PubchemFP38     2
PubchemFP39     2
PubchemFP40     2
PubchemFP41     2
PubchemFP42     2
PubchemFP43     2
PubchemFP44     2
PubchemFP45     2
PubchemFP46     2
PubchemFP47     2
PubchemFP48     2
PubchemFP49     2
PubchemFP50     2
PubchemFP51     2
PubchemFP52     2
PubchemFP53     2
PubchemFP54     2
PubchemFP55     2
PubchemFP56     2
PubchemFP57     2
PubchemFP58     2
PubchemFP59     2
PubchemFP60     2
PubchemFP61     2
PubchemFP62     2
PubchemFP63     2
PubchemFP64     2
PubchemFP65     2
PubchemFP66     2
PubchemFP67     2
PubchemFP68     2
PubchemFP69     2
PubchemFP70     2
PubchemFP71     2
PubchemFP72     2
PubchemFP73     2
PubchemFP74     2
PubchemFP75     2
PubchemFP76     2
PubchemFP77     2
PubchemFP78     2
PubchemFP79     2
PubchemFP80     2
PubchemFP81     2
PubchemFP82     2
PubchemFP83     2
PubchemFP84     2
PubchemFP85     2
PubchemFP86     2
PubchemFP87     2
PubchemFP88     2
PubchemFP89     2
PubchemFP90     2
PubchemFP91     2
PubchemFP92     2
PubchemFP93     2
PubchemFP94     2
PubchemFP95     2
PubchemFP96     2
PubchemFP97     2
PubchemFP98     2
PubchemFP99     2
PubchemFP100    2
PubchemFP101    2
PubchemFP102    2
PubchemFP103    2
PubchemFP104    2
PubchemFP105    2
PubchemFP106    2
PubchemFP107    2
PubchemFP108    2
PubchemFP109    2
PubchemFP110    2
PubchemFP111    2
PubchemFP112    2
PubchemFP113    2
PubchemFP114    2
PubchemFP115    2
PubchemFP116    2
PubchemFP117    2
PubchemFP118    2
PubchemFP119    2
PubchemFP120    2
PubchemFP121    2
PubchemFP122    2
PubchemFP123    2
PubchemFP124    2
PubchemFP125    2
PubchemFP126    2
PubchemFP127    2
PubchemFP128    2
PubchemFP129    2
PubchemFP130    2
PubchemFP131    2
PubchemFP132    2
PubchemFP133    2
PubchemFP134    2
PubchemFP135    2
PubchemFP136    2
PubchemFP137    2
PubchemFP138    2
PubchemFP139    2
PubchemFP140    2
PubchemFP141    2
PubchemFP142    2
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PubchemFP144    2
PubchemFP145    2
PubchemFP146    2
PubchemFP147    2
PubchemFP148    2
PubchemFP149    2
PubchemFP150    2
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PubchemFP152    2
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PubchemFP154    2
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PubchemFP156    2
PubchemFP157    2
PubchemFP158    2
PubchemFP159    2
PubchemFP160    2
PubchemFP161    2
PubchemFP162    2
PubchemFP163    2
PubchemFP164    2
PubchemFP165    2
PubchemFP166    2
PubchemFP167    2
PubchemFP168    2
PubchemFP169    2
PubchemFP170    2
PubchemFP171    2
PubchemFP172    2
PubchemFP173    2
PubchemFP174    2
PubchemFP175    2
PubchemFP176    2
PubchemFP177    2
PubchemFP178    2
PubchemFP179    2
PubchemFP180    2
PubchemFP181    2
PubchemFP182    2
PubchemFP183    2
PubchemFP184    2
PubchemFP185    2
PubchemFP186    2
PubchemFP187    2
PubchemFP188    2
PubchemFP189    2
PubchemFP190    2
PubchemFP191    2
PubchemFP192    2
PubchemFP193    2
PubchemFP194    2
PubchemFP195    2
PubchemFP196    2
PubchemFP197    2
PubchemFP198    2
PubchemFP199    2
PubchemFP200    2
PubchemFP201    2
PubchemFP202    2
PubchemFP203    2
PubchemFP204    2
PubchemFP205    2
PubchemFP206    2
PubchemFP207    2
PubchemFP208    2
PubchemFP209    2
PubchemFP210    2
PubchemFP211    2
PubchemFP212    2
PubchemFP213    2
PubchemFP214    2
PubchemFP215    2
PubchemFP216    2
PubchemFP217    2
PubchemFP218    2
PubchemFP219    2
PubchemFP220    2
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PubchemFP222    2
PubchemFP223    2
PubchemFP224    2
PubchemFP225    2
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PubchemFP227    2
PubchemFP228    2
PubchemFP229    2
PubchemFP230    2
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PubchemFP232    2
PubchemFP233    2
PubchemFP234    2
PubchemFP235    2
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PubchemFP237    2
PubchemFP238    2
PubchemFP239    2
PubchemFP240    2
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PubchemFP242    2
PubchemFP243    2
PubchemFP244    2
PubchemFP245    2
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PubchemFP248    2
PubchemFP249    2
PubchemFP250    2
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PubchemFP255    2
PubchemFP256    2
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PubchemFP258    2
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PubchemFP260    2
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PubchemFP280    2
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PubchemFP298    2
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PubchemFP300    2
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PubchemFP305    2
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PubchemFP307    2
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PubchemFP314    2
PubchemFP315    2
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PubchemFP320    2
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PubchemFP322    2
PubchemFP323    2
PubchemFP324    2
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PubchemFP331    2
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PubchemFP340    2
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PubchemFP346    2
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PubchemFP350    2
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PubchemFP365    2
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PubchemFP373    2
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PubchemFP375    2
PubchemFP376    2
PubchemFP377    2
PubchemFP378    2
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PubchemFP380    2
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PubchemFP382    2
PubchemFP383    2
PubchemFP384    2
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PubchemFP386    2
PubchemFP387    2
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PubchemFP389    2
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PubchemFP418    2
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PubchemFP435    2
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PubchemFP445    2
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PubchemFP448    2
PubchemFP449    2
PubchemFP450    2
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PubchemFP452    2
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PubchemFP459    2
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PubchemFP461    2
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PubchemFP466    2
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PubchemFP473    2
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PubchemFP500    2
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PubchemFP510    2
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PubchemFP512    2
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PubchemFP516    2
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PubchemFP518    2
PubchemFP519    2
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PubchemFP524    2
PubchemFP525    2
PubchemFP526    2
PubchemFP527    2
PubchemFP528    2
PubchemFP529    2
PubchemFP530    2
PubchemFP531    2
PubchemFP532    2
PubchemFP533    2
PubchemFP534    2
PubchemFP535    2
PubchemFP536    2
PubchemFP537    2
PubchemFP538    2
PubchemFP539    2
PubchemFP540    2
PubchemFP541    2
PubchemFP542    2
PubchemFP543    2
PubchemFP544    2
PubchemFP545    2
PubchemFP546    2
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PubchemFP548    2
PubchemFP549    2
PubchemFP550    2
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PubchemFP556    2
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PubchemFP566    2
PubchemFP567    2
PubchemFP568    2
PubchemFP569    2
PubchemFP570    2
PubchemFP571    2
PubchemFP572    2
PubchemFP573    2
PubchemFP574    2
PubchemFP575    2
PubchemFP576    2
PubchemFP577    2
PubchemFP578    2
PubchemFP579    2
PubchemFP580    2
PubchemFP581    2
PubchemFP582    2
PubchemFP583    2
PubchemFP584    2
PubchemFP585    2
PubchemFP586    2
PubchemFP587    2
PubchemFP588    2
PubchemFP589    2
PubchemFP590    2
PubchemFP591    2
PubchemFP592    2
PubchemFP593    2
PubchemFP594    2
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PubchemFP596    2
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PubchemFP598    2
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PubchemFP600    2
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PubchemFP602    2
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PubchemFP604    2
PubchemFP605    2
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PubchemFP608    2
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PubchemFP610    2
PubchemFP611    2
PubchemFP612    2
PubchemFP613    2
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PubchemFP615    2
PubchemFP616    2
PubchemFP617    2
PubchemFP618    2
PubchemFP619    2
PubchemFP620    2
PubchemFP621    2
PubchemFP622    2
PubchemFP623    2
PubchemFP624    2
PubchemFP625    2
PubchemFP626    2
PubchemFP627    2
PubchemFP628    2
PubchemFP629    2
PubchemFP630    2
PubchemFP631    2
PubchemFP632    2
PubchemFP633    2
PubchemFP634    2
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PubchemFP638    2
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PubchemFP640    2
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PubchemFP644    2
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PubchemFP646    2
PubchemFP647    2
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PubchemFP649    2
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PubchemFP656    2
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PubchemFP663    2
PubchemFP664    2
PubchemFP665    2
PubchemFP666    2
PubchemFP667    2
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PubchemFP669    2
PubchemFP670    2
PubchemFP671    2
PubchemFP672    2
PubchemFP673    2
PubchemFP674    2
PubchemFP675    2
PubchemFP676    2
PubchemFP677    2
PubchemFP678    2
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PubchemFP680    2
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PubchemFP706    2
PubchemFP707    2
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PubchemFP709    2
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PubchemFP712    2
PubchemFP713    2
PubchemFP714    2
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PubchemFP717    2
PubchemFP718    2
PubchemFP719    2
PubchemFP720    2
PubchemFP721    2
PubchemFP722    2
PubchemFP723    2
PubchemFP724    2
PubchemFP725    2
PubchemFP726    2
PubchemFP727    2
PubchemFP728    2
PubchemFP729    2
PubchemFP730    2
PubchemFP731    2
PubchemFP732    2
PubchemFP733    2
PubchemFP734    2
PubchemFP735    2
PubchemFP736    2
PubchemFP737    2
PubchemFP738    2
PubchemFP739    2
PubchemFP740    2
PubchemFP741    2
PubchemFP742    2
PubchemFP743    2
PubchemFP744    2
PubchemFP745    2
PubchemFP746    2
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PubchemFP749    2
PubchemFP750    2
PubchemFP751    2
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PubchemFP762    2
PubchemFP763    2
PubchemFP764    2
PubchemFP765    2
PubchemFP766    2
PubchemFP767    2
PubchemFP768    2
PubchemFP769    2
PubchemFP770    2
PubchemFP771    2
PubchemFP772    2
PubchemFP773    2
PubchemFP774    2
PubchemFP775    2
PubchemFP776    2
PubchemFP777    2
PubchemFP778    2
PubchemFP779    2
PubchemFP780    2
PubchemFP781    2
PubchemFP782    2
PubchemFP783    2
PubchemFP784    2
PubchemFP785    2
PubchemFP786    2
PubchemFP787    2
PubchemFP788    2
PubchemFP789    2
PubchemFP790    2
PubchemFP791    2
PubchemFP792    2
PubchemFP793    2
PubchemFP794    2
PubchemFP795    2
PubchemFP796    2
PubchemFP797    2
PubchemFP798    2
PubchemFP799    2
PubchemFP800    2
PubchemFP801    2
PubchemFP802    2
PubchemFP803    2
PubchemFP804    2
PubchemFP805    2
PubchemFP806    2
PubchemFP807    2
PubchemFP808    2
PubchemFP809    2
PubchemFP810    2
PubchemFP811    2
PubchemFP812    2
PubchemFP813    2
PubchemFP814    2
PubchemFP815    2
PubchemFP816    2
PubchemFP817    2
PubchemFP818    2
PubchemFP819    2
PubchemFP820    2
PubchemFP821    2
PubchemFP822    2
PubchemFP823    2
PubchemFP824    2
PubchemFP825    2
PubchemFP826    2
PubchemFP827    2
PubchemFP828    2
PubchemFP829    2
PubchemFP830    2
PubchemFP831    2
PubchemFP832    2
PubchemFP833    2
PubchemFP834    2
PubchemFP835    2
PubchemFP836    2
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PubchemFP838    2
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PubchemFP840    2
PubchemFP841    2
PubchemFP842    2
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PubchemFP847    2
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PubchemFP850    2
PubchemFP851    2
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PubchemFP854    2
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PubchemFP856    2
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PubchemFP860    2
PubchemFP861    2
PubchemFP862    2
PubchemFP863    2
PubchemFP864    2
PubchemFP865    2
PubchemFP866    2
PubchemFP867    2
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PubchemFP870    2
PubchemFP871    2
PubchemFP872    2
PubchemFP873    2
PubchemFP874    2
PubchemFP875    2
PubchemFP876    2
PubchemFP877    2
PubchemFP878    2
PubchemFP879    2
PubchemFP880    2
pIC50           0
dtype: int64

Removing the bioactivity '2 to reduce the number'

df12 = df11.dropna()

df12.isna().sum()

bioactivity     0
PubchemFP0      0
PubchemFP1      0
PubchemFP2      0
PubchemFP3      0
PubchemFP4      0
PubchemFP5      0
PubchemFP6      0
PubchemFP7      0
PubchemFP8      0
PubchemFP9      0
PubchemFP10     0
PubchemFP11     0
PubchemFP12     0
PubchemFP13     0
PubchemFP14     0
PubchemFP15     0
PubchemFP16     0
PubchemFP17     0
PubchemFP18     0
PubchemFP19     0
PubchemFP20     0
PubchemFP21     0
PubchemFP22     0
PubchemFP23     0
PubchemFP24     0
PubchemFP25     0
PubchemFP26     0
PubchemFP27     0
PubchemFP28     0
PubchemFP29     0
PubchemFP30     0
PubchemFP31     0
PubchemFP32     0
PubchemFP33     0
PubchemFP34     0
PubchemFP35     0
PubchemFP36     0
PubchemFP37     0
PubchemFP38     0
PubchemFP39     0
PubchemFP40     0
PubchemFP41     0
PubchemFP42     0
PubchemFP43     0
PubchemFP44     0
PubchemFP45     0
PubchemFP46     0
PubchemFP47     0
PubchemFP48     0
PubchemFP49     0
PubchemFP50     0
PubchemFP51     0
PubchemFP52     0
PubchemFP53     0
PubchemFP54     0
PubchemFP55     0
PubchemFP56     0
PubchemFP57     0
PubchemFP58     0
PubchemFP59     0
PubchemFP60     0
PubchemFP61     0
PubchemFP62     0
PubchemFP63     0
PubchemFP64     0
PubchemFP65     0
PubchemFP66     0
PubchemFP67     0
PubchemFP68     0
PubchemFP69     0
PubchemFP70     0
PubchemFP71     0
PubchemFP72     0
PubchemFP73     0
PubchemFP74     0
PubchemFP75     0
PubchemFP76     0
PubchemFP77     0
PubchemFP78     0
PubchemFP79     0
PubchemFP80     0
PubchemFP81     0
PubchemFP82     0
PubchemFP83     0
PubchemFP84     0
PubchemFP85     0
PubchemFP86     0
PubchemFP87     0
PubchemFP88     0
PubchemFP89     0
PubchemFP90     0
PubchemFP91     0
PubchemFP92     0
PubchemFP93     0
PubchemFP94     0
PubchemFP95     0
PubchemFP96     0
PubchemFP97     0
PubchemFP98     0
PubchemFP99     0
PubchemFP100    0
PubchemFP101    0
PubchemFP102    0
PubchemFP103    0
PubchemFP104    0
PubchemFP105    0
PubchemFP106    0
PubchemFP107    0
PubchemFP108    0
PubchemFP109    0
PubchemFP110    0
PubchemFP111    0
PubchemFP112    0
PubchemFP113    0
PubchemFP114    0
PubchemFP115    0
PubchemFP116    0
PubchemFP117    0
PubchemFP118    0
PubchemFP119    0
PubchemFP120    0
PubchemFP121    0
PubchemFP122    0
PubchemFP123    0
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pIC50           0
dtype: int64

df12.info()

<class 'pandas.core.frame.DataFrame'>
Int64Index: 882 entries, 0 to 883
Columns: 883 entries, bioactivity to pIC50
dtypes: float64(882), int64(1)
memory usage: 5.9 MB

len(df12)

882

df13 = df12
df13

	bioactivity	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	PubchemFP8	...	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880	pIC50
0	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
1	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.744727
2	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.508638
3	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.552842
4	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.397940
5	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.292430
6	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.036212
7	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.568636
8	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.275724
9	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
10	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.096910
11	0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.522879
12	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.960189
13	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
14	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.180456
15	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.583359
16	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.236572
17	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036212
18	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.130768
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20	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.443697
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498	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.443697
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504	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
505	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
506	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
507	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
508	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.384471
509	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.378512
510	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.987163
511	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.366532
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513	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.351640
514	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.345727
515	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.337242
516	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.337242
517	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.335358
518	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.327902
519	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.316953
520	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.301030
521	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.283997
522	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.262013
523	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.259637
524	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.258061
525	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.974694
526	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.247644
527	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.244125
528	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.244125
529	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.241845
530	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.237022
532	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.408935
533	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.225191
534	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.225483
535	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.841638
536	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.327902
537	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.425969
538	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.259637
539	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.333482
540	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.092051
541	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.739929
542	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.375718
543	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.323306
544	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.338187
545	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.835647
546	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.847712
547	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.659556
548	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.324222
549	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.270835
550	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.122629
551	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.494850
552	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.593460
553	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.747147
554	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.399027
555	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.119758
556	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.835647
557	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.256490
558	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.829738
559	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.182435
560	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
561	1	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.610834
562	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.838632
563	1	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.632644
564	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.110698
565	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.627088
566	0	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.431798
567	1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.420216
568	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
569	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.703335
570	0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.647817
571	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.663540
572	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.714443
573	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.643974
574	0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.450997
575	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.638272
576	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.221849
577	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.221849
578	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.214670
579	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.207608
580	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.202732
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585	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.167491
586	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.163676
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588	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.154902
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591	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.154902
592	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.142668
593	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.142668
594	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.607831
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596	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.502379
597	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.904482
598	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.792096
599	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.124939
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601	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.112383
602	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.102373
603	1	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.099087
604	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.503070
605	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.096910
606	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.091515
607	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.091515
608	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
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610	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.075721
611	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.075721
612	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.070581
613	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.994391
614	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.045757
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616	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
617	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.040959
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620	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036212
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622	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.022276
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624	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.014125
625	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.008774
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628	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.001741
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630	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
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632	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
633	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
634	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
635	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
636	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
637	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.000000
638	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.996971
639	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.992679
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641	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.987163
642	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.983803
643	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.971022
644	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.974694
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646	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.966576
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652	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.943476
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656	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.920819
657	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.903090
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681	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.841638
682	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
683	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
684	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
685	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
686	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
687	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
688	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
689	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.823909
690	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.816730
691	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.809668
692	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.802719
693	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
694	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
695	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
696	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.795880
697	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.772113
698	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.767004
699	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.764472
700	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.759950
701	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.756962
702	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.749580
703	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.749092
704	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.746420
705	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
706	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
707	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
708	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
709	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744727
710	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.744245
711	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.739929
712	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.739929
713	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.738024
714	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.717151
715	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.698970
716	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.698970
717	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.698970
718	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.692504
719	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.682564
720	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.675718
721	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667764
722	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
723	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
724	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
725	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.667158
726	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.663540
727	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.655608
728	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.652280
729	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.605548
730	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.647817
731	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.638272
732	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.638272
733	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.628932
734	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.628932
735	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.628194
736	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.623423
737	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.619789
738	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.619789
739	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.619789
740	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.617263
741	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.617083
742	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.617083
743	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.614394
744	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.613858
745	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.603801
746	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602581
747	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
748	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
749	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
750	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
751	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.602060
752	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.596879
753	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.585027
754	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.580044
755	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.567031
756	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.556424
757	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.552842
758	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.552842
759	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.551294
760	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.539854
761	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.522879
762	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.500038
763	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.498804
764	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.494850
765	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.493766
766	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.494850
767	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.457050
768	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.455932
769	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.453457
770	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.443697
771	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.415669
772	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.431798
773	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.413750
774	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.408935
775	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.408935
776	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.408935
777	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.412289
778	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.406714
779	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.403623
780	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.399354
781	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
782	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
783	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
784	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
785	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
786	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
787	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
788	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.397940
789	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.383105
790	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.378824
791	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.376751
792	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.374790
793	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.368658
794	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.346787
795	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.346787
796	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.337242
797	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.327902
798	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.318759
799	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.309804
800	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.309804
801	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.304518
802	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.301378
803	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.301030
804	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.301030
805	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.289629
806	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.275724
807	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.251812
808	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.249955
809	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.244125
810	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.244125
811	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.233959
812	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.221849
813	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.221849
814	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.211407
815	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.207608
816	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.200659
817	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.202110
818	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.193820
819	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.172631
820	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.167491
821	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.154902
822	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.154902
823	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.148742
824	2	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.140862
825	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
826	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
827	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
828	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.114978
829	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.113002
830	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.096910
831	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.096910
832	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.094420
833	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.081393
834	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.070581
835	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.050122
836	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.042297
837	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.022276
838	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
839	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
840	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
841	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
842	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
843	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
844	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
845	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.994048
846	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.966576
847	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.889747
848	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.869666
849	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.869666
850	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.861066
851	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.787280
852	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.756962
853	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.723308
854	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
855	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
856	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
857	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
858	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
859	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
860	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.684030
861	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.677781
862	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.656001
863	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.644548
864	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.631899
865	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.619789
866	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.602060
867	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.602060
868	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.585027
869	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.585027
870	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.552842
871	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.551603
872	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.547447
873	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
874	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
875	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
876	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
877	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.455932
878	2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.397940
879	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.356547
880	2	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.301030
881	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.096910
882	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.060481
883	2	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.698970

882 rows × 883 columns

#df13 = df12[df12['bioactivity'] != 2]
#df13

len(df13)

882

df13.bioactivity.value_counts()

2    416
1    324
0    142
Name: bioactivity, dtype: int64

df14=df13.drop( 'bioactivity',axis=1)

df14

	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	PubchemFP8	PubchemFP9	...	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880	pIC50
0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.744727
2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.508638
3	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.552842
4	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.397940
5	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.292430
6	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.036212
7	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.568636
8	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.275724
9	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
10	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	8.096910
11	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.522879
12	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.960189
13	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
14	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.180456
15	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.583359
16	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.236572
17	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.036212
18	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.130768
19	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.772113
20	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.443697
21	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.795880
22	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.452225
23	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.876148
24	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.507240
25	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.991400
26	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.045757
27	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.102373
28	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.283997
29	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.522879
30	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.013228
31	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.180456
32	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.340084
33	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.275724
34	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.552842
35	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.638272
36	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
37	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.375718
38	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.154902
39	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.995679
40	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.616185
41	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.221849
42	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.301030
43	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.640165
44	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.698970
45	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.552842
46	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.292430
47	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.251812
48	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.180456
49	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.173925
50	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.091515
51	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.026872
52	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	6.017729
53	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.978811
54	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.829738
55	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.742321
56	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.705534
57	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.669586
58	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.621602
59	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.607303
60	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.600326
61	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.595166
62	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.571865
63	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.413413
64	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.387216
65	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.307153
66	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.303644
67	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.270026
68	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.262807
69	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.244125
70	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.235077
71	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.138466
72	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.125518
73	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.107349
74	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	5.089909
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811	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.233959
812	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.221849
813	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.221849
814	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.211407
815	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.207608
816	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.200659
817	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.202110
818	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.193820
819	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.172631
820	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.167491
821	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.154902
822	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.154902
823	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.148742
824	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.140862
825	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
826	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
827	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.124939
828	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.114978
829	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.113002
830	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.096910
831	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.096910
832	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.094420
833	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.081393
834	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.070581
835	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.050122
836	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.042297
837	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.022276
838	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
839	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
840	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
841	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
842	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
843	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
844	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.000000
845	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.994048
846	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.966576
847	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.889747
848	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.869666
849	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.869666
850	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.861066
851	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.787280
852	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.756962
853	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.723308
854	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
855	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
856	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
857	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
858	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
859	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.698970
860	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.684030
861	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.677781
862	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.656001
863	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.644548
864	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.631899
865	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.619789
866	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.602060
867	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.602060
868	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.585027
869	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.585027
870	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.552842
871	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.551603
872	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.547447
873	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
874	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
875	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
876	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.522879
877	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.455932
878	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.397940
879	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.356547
880	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.301030
881	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.096910
882	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	3.060481
883	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.698970

882 rows × 882 columns

#df12.bioactivity.value_counts()

#df13 = df12[df12['bioactivity'] != 1]
#df13

#df14

Model Preparation Linear Regression

X = df14.drop('pIC50', axis=1)
X

	PubchemFP0	PubchemFP1	PubchemFP2	PubchemFP3	PubchemFP4	PubchemFP5	PubchemFP6	PubchemFP7	PubchemFP8	PubchemFP9	...	PubchemFP871	PubchemFP872	PubchemFP873	PubchemFP874	PubchemFP875	PubchemFP876	PubchemFP877	PubchemFP878	PubchemFP879	PubchemFP880
0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
1	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
2	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
3	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
4	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
5	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
6	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
7	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
8	1.0	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
9	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
10	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
11	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
12	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
13	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
14	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
15	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
16	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
17	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
18	1.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	...	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
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882 rows × 881 columns

y = df14.pIC50
y

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752     4.596879
753     4.585027
754     4.580044
755     4.567031
756     4.556424
757     4.552842
758     4.552842
759     4.551294
760     4.539854
761     4.522879
762     4.500038
763     4.498804
764     4.494850
765     4.493766
766     4.494850
767     4.457050
768     4.455932
769     4.453457
770     4.443697
771     4.415669
772     4.431798
773     4.413750
774     4.408935
775     4.408935
776     4.408935
777     4.412289
778     4.406714
779     4.403623
780     4.399354
781     4.397940
782     4.397940
783     4.397940
784     4.397940
785     4.397940
786     4.397940
787     4.397940
788     4.397940
789     4.383105
790     4.378824
791     4.376751
792     4.374790
793     4.368658
794     4.346787
795     4.346787
796     4.337242
797     4.327902
798     4.318759
799     4.309804
800     4.309804
801     4.304518
802     4.301378
803     4.301030
804     4.301030
805     4.289629
806     4.275724
807     4.251812
808     4.249955
809     4.244125
810     4.244125
811     4.233959
812     4.221849
813     4.221849
814     4.211407
815     4.207608
816     4.200659
817     4.202110
818     4.193820
819     4.172631
820     4.167491
821     4.154902
822     4.154902
823     4.148742
824     4.140862
825     4.124939
826     4.124939
827     4.124939
828     4.114978
829     4.113002
830     4.096910
831     4.096910
832     4.094420
833     4.081393
834     4.070581
835     4.050122
836     4.042297
837     4.022276
838     4.000000
839     4.000000
840     4.000000
841     4.000000
842     4.000000
843     4.000000
844     4.000000
845     3.994048
846     3.966576
847     3.889747
848     3.869666
849     3.869666
850     3.861066
851     3.787280
852     3.756962
853     3.723308
854     3.698970
855     3.698970
856     3.698970
857     3.698970
858     3.698970
859     3.698970
860     3.684030
861     3.677781
862     3.656001
863     3.644548
864     3.631899
865     3.619789
866     3.602060
867     3.602060
868     3.585027
869     3.585027
870     3.552842
871     3.551603
872     3.547447
873     3.522879
874     3.522879
875     3.522879
876     3.522879
877     3.455932
878     3.397940
879     3.356547
880     3.301030
881     3.096910
882     3.060481
883     2.698970
Name: pIC50, dtype: float64

Low variance

#from sklearn.feature_selection import VarianceThreshold
#selection = VarianceThreshold(threshold=(.8 * (1 - .8)))    
#X = selection.fit_transform(X)

X.shape, y.shape

((882, 881), (882,))

Data Splitting

X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2, random_state=10)

from sklearn.preprocessing import StandardScaler
sc = StandardScaler()
X_train_scaled = sc.fit_transform(X_train)
X_test_scaled = sc.transform(X_test)

X_train.shape, y_train.shape

((705, 881), (705,))

from sklearn.ensemble import RandomForestRegressor
from sklearn.metrics import mean_squared_error, r2_score

RandomForestRegressor

from sklearn.ensemble import RandomForestRegressor
rfg = RandomForestRegressor
rfg = RandomForestRegressor(n_estimators=250, random_state=123)
rfg.fit(X_train_scaled, y_train)
r2 = rfg.score(X_train_scaled, y_train)
r2

0.9466922880265367

y_pred = rfg.predict(X_test_scaled)
#y_pred

CompareDFs_rfg = pd.DataFrame({'Actual':y_test, 'Predicted': y_pred})
CompareDFs_rfg

	Actual	Predicted
549	5.270835	5.457978
574	6.450997	6.837724
452	5.700929	5.152721
194	7.327902	6.247747
662	4.886057	4.292102
285	7.040959	6.614112
124	6.551294	6.898686
131	7.958607	7.111859
493	5.481486	5.758673
174	8.283997	6.107736
92	5.057496	5.362349
318	6.707744	6.809484
250	8.397940	8.356388
560	4.000000	5.068000
573	6.643974	6.275593
225	6.346787	5.976412
707	4.744727	5.050812
43	4.640165	5.716736
181	7.309804	7.451143
398	6.000000	5.927650
1	6.744727	5.708464
280	7.080922	7.249295
796	4.337242	4.293126
530	5.237022	5.209124
864	3.631899	3.853955
606	5.091515	5.170829
177	7.443697	7.550146
625	5.008774	4.732489
840	4.000000	4.302440
772	4.431798	4.704352
652	4.943476	5.140346
27	5.102373	5.425396
403	6.173925	6.331388
468	5.621602	5.756432
443	5.782253	5.735106
196	8.031517	7.112819
583	5.167491	5.914900
424	5.958607	5.874083
706	4.744727	4.992319
325	7.161151	7.014343
233	5.619789	5.292111
284	7.050610	5.808776
539	4.333482	5.444138
240	9.356547	5.423254
68	5.262807	5.591803
379	6.408935	6.359566
645	4.971429	5.739311
298	5.657577	6.329804
16	5.236572	5.144174
488	5.519993	5.065073
845	3.994048	4.845278
753	4.585027	4.908706
52	6.017729	5.359742
260	7.468521	8.356388
300	6.343902	7.196358
242	9.214670	8.498052
193	7.221849	6.557536
808	4.249955	4.163549
446	5.766243	5.364150
731	4.638272	5.223250
399	6.221849	4.905784
351	6.522879	5.064216
287	7.013228	6.216871
643	4.971022	6.110870
773	4.413750	4.447673
834	4.070581	4.510509
64	5.387216	5.142359
838	4.000000	4.597227
173	8.318759	7.682653
825	4.124939	5.779266
104	4.595337	4.892378
75	4.917574	5.584189
415	6.022276	4.790443
868	3.585027	3.918285
171	7.721246	7.550146
235	4.628932	5.106346
813	4.221849	4.350799
579	5.207608	5.656545
45	6.552842	5.854144
244	9.455932	8.626483
680	4.853872	4.745251
374	6.318759	6.343793
830	4.096910	4.794021
120	6.457175	6.676381
689	4.823909	4.965242
121	7.040959	6.201970
6	7.036212	6.946683
302	7.769551	7.716016
179	7.795880	7.745755
783	4.397940	4.684301
353	6.477556	5.446011
176	7.221849	6.668554
760	4.539854	5.315936
293	6.950782	6.574440
512	5.366532	5.104054
580	5.202732	6.300735
761	4.522879	3.969338
578	5.214670	5.030302
295	6.906578	6.236420
361	6.187087	6.342062
740	4.617263	4.490702
622	5.022276	4.623631
138	7.853872	7.199754
34	5.552842	5.361419
789	4.383105	4.589611
656	4.920819	5.745165
230	4.971022	5.099861
449	5.769551	5.604187
85	5.013676	5.285886
190	8.070581	7.547330
408	6.154902	6.465942
396	6.292430	5.323493
607	5.091515	5.194604
450	5.710634	6.703531
211	7.229148	6.258898
334	6.148742	5.656856
31	5.180456	5.277628
292	6.397940	6.306828
719	4.682564	4.274010
633	5.000000	5.135437
525	4.974694	5.370149
304	7.886057	7.616321
417	6.013228	5.093138
425	5.951558	4.790853
833	4.081393	4.655444
305	7.823909	7.368517
858	3.698970	4.066929
358	7.154902	6.265633
451	5.709965	5.803038
698	4.767004	5.067836
498	5.443697	5.161580
274	7.187087	7.093034
759	4.551294	5.321046
153	7.853872	8.030565
677	4.858237	4.817584
768	4.455932	4.878707
264	7.356547	7.994506
519	5.316953	5.578794
223	5.193142	4.790443
192	7.481486	6.851170
624	5.014125	4.781555
697	4.772113	4.772734
191	7.823909	6.820898
696	4.795880	4.898179
381	6.387216	6.398662
722	4.667158	5.043037
538	4.259637	5.309759
816	4.200659	3.989666
523	5.259637	4.760674
271	7.275724	6.931379
540	4.092051	5.503746
195	6.978811	6.276551
669	4.875496	4.784049
521	5.283997	5.209124
143	6.593460	6.585601
467	5.647817	5.319931
627	5.003926	4.860585
140	6.258848	4.797017
736	4.623423	4.645692
413	6.045757	5.694528
733	4.628932	4.902405
738	4.619789	4.586997
483	5.537602	5.143965
419	5.988007	5.496397
94	4.987163	5.316108
248	7.744727	5.378446
57	5.669586	5.734464
711	4.739929	5.692446
636	5.000000	5.092462
649	4.958607	4.623460
163	7.853872	7.653923
568	5.795880	6.419949
458	5.698970	5.130070
217	6.744727	6.168164
188	7.180456	6.946683
277	7.102373	6.940327
729	4.605548	4.365301

Model Performance

from sklearn.metrics import mean_squared_error, r2_score
print('Mean squared error (MSE): %.2f'
      % mean_squared_error(y_test, y_pred))
print('Coefficient of determination (R^2): %.2f'
      % r2_score(y_test, y_pred))

Mean squared error (MSE): 0.47
Coefficient of determination (R^2): 0.71

Graph

import matplotlib.pyplot as plt
import numpy as np

import seaborn as sns
import matplotlib.pyplot as plt

sns.set(color_codes=True)
sns.set_style("white")

ax=sns.regplot(data=CompareDFs_rfg, x="Actual", y="Predicted", scatter_kws={'alpha':0.5}, color="green")
ax.set_xlabel('Experimental pIC50', fontsize='large', fontweight='bold')
ax.set_ylabel('Predicted pIC50', fontsize='large', fontweight='bold')
ax.set_title('RandomForestRegressor')
ax.set_xlim(1, )
ax.set_ylim(1, )
ax.figure.set_size_inches(7, 7)
plt.show

<function matplotlib.pyplot.show(close=None, block=None)>

Linear Regression

from sklearn.linear_model import LinearRegression
lr = LinearRegression()
lr.fit(X_train_scaled, y_train)
lr2 = lr.score(X_train_scaled, y_train)
lr2

0.9091327655855831

y_pred = lr.predict(X_test_scaled)

#y_pred

CompareDFs_lr = pd.DataFrame({'Actual':y_test, 'Predicted': y_pred})
CompareDFs_lr

	Actual	Predicted
549	5.270835	5.167810e+00
574	6.450997	9.553640e+00
452	5.700929	6.154851e+00
194	7.327902	6.077630e+00
662	4.886057	3.905370e+00
285	7.040959	-6.813265e+12
124	6.551294	7.506749e+00
131	7.958607	7.269407e+00
493	5.481486	6.104299e+00
174	8.283997	7.435888e+00
92	5.057496	6.400815e+00
318	6.707744	7.018804e+00
250	8.397940	7.505620e+00
560	4.000000	5.039621e+00
573	6.643974	6.775594e+00
225	6.346787	6.053247e+00
707	4.744727	4.471559e+00
43	4.640165	5.654229e+00
181	7.309804	6.660302e+00
398	6.000000	1.077762e+01
1	6.744727	9.167721e+09
280	7.080922	7.014531e+00
796	4.337242	6.801946e+00
530	5.237022	5.077169e+00
864	3.631899	3.114991e+00
606	5.091515	5.366906e+00
177	7.443697	7.253320e+00
625	5.008774	6.341310e+00
840	4.000000	3.085660e+00
772	4.431798	3.466276e+00
652	4.943476	-2.660388e+00
27	5.102373	5.425302e+00
403	6.173925	7.104101e+00
468	5.621602	7.484121e+00
443	5.782253	5.745534e+00
196	8.031517	7.432072e+00
583	5.167491	6.001458e+00
424	5.958607	-4.774485e+00
706	4.744727	5.822042e+00
325	7.161151	7.523584e+00
233	5.619789	5.431615e+00
284	7.050610	4.889195e+00
539	4.333482	2.987874e+00
240	9.356547	7.172849e+00
68	5.262807	7.775182e+00
379	6.408935	6.748052e+00
645	4.971429	-7.669020e+11
298	5.657577	4.935926e+00
16	5.236572	5.275201e+00
488	5.519993	5.023092e+00
845	3.994048	4.022352e+00
753	4.585027	1.271178e+11
52	6.017729	5.218057e+00
260	7.468521	7.505620e+00
300	6.343902	6.956773e+00
242	9.214670	9.311429e+00
193	7.221849	6.255426e+00
808	4.249955	3.671079e+00
446	5.766243	3.129358e+00
731	4.638272	-2.703015e+13
399	6.221849	2.614568e+00
351	6.522879	-1.554457e+12
287	7.013228	5.819111e+00
643	4.971022	5.706338e+00
773	4.413750	4.602559e+00
834	4.070581	6.737993e+00
64	5.387216	3.715741e+00
838	4.000000	6.347203e+00
173	8.318759	7.344934e+00
825	4.124939	7.881673e+00
104	4.595337	5.329976e+00
75	4.917574	6.099347e+00
415	6.022276	4.989018e+00
868	3.585027	3.875332e+00
171	7.721246	7.253320e+00
235	4.628932	6.666875e+00
813	4.221849	5.644544e+00
579	5.207608	5.378450e+00
45	6.552842	4.483930e+00
244	9.455932	8.575498e+00
680	4.853872	2.609643e+00
374	6.318759	6.995473e+00
830	4.096910	1.063957e+01
120	6.457175	5.457143e+00
689	4.823909	5.084821e+00
121	7.040959	-1.271178e+11
6	7.036212	6.340702e+00
302	7.769551	8.968622e+00
179	7.795880	7.429773e+00
783	4.397940	3.074159e+00
353	6.477556	5.974843e+00
176	7.221849	6.431878e+00
760	4.539854	-3.159595e+11
293	6.950782	6.945501e+00
512	5.366532	4.799459e+00
580	5.202732	6.145498e+00
761	4.522879	6.057695e+00
578	5.214670	1.905870e+01
295	6.906578	6.786359e+00
361	6.187087	6.637578e+00
740	4.617263	4.439061e+00
622	5.022276	3.688009e+00
138	7.853872	7.418111e+00
34	5.552842	4.219690e+00
789	4.383105	4.304078e+00
656	4.920819	4.842264e+00
230	4.971022	5.206140e+00
449	5.769551	3.978776e+00
85	5.013676	6.541333e+00
190	8.070581	7.168481e+00
408	6.154902	6.245809e+00
396	6.292430	6.530401e+00
607	5.091515	4.108865e+00
450	5.710634	7.554540e+00
211	7.229148	5.110676e+00
334	6.148742	5.478765e+00
31	5.180456	2.585687e+00
292	6.397940	7.446042e+00
719	4.682564	6.328573e+00
633	5.000000	1.271178e+11
525	4.974694	4.590696e+00
304	7.886057	8.580621e+00
417	6.013228	4.034566e+00
425	5.951558	3.900258e+00
833	4.081393	5.148946e+00
305	7.823909	8.007528e+00
858	3.698970	2.991559e+00
358	7.154902	2.780393e+00
451	5.709965	5.929132e+00
698	4.767004	5.352041e+00
498	5.443697	5.551492e+00
274	7.187087	6.721402e+00
759	4.551294	9.601445e+00
153	7.853872	8.380983e+00
677	4.858237	4.946340e+00
768	4.455932	4.614614e+00
264	7.356547	7.227147e+00
519	5.316953	5.382411e+12
223	5.193142	4.989018e+00
192	7.481486	7.056787e+00
624	5.014125	6.537977e+00
697	4.772113	6.588521e+00
191	7.823909	6.707177e+00
696	4.795880	4.416234e+00
381	6.387216	6.779973e+00
722	4.667158	-2.247056e+11
538	4.259637	-2.703015e+13
816	4.200659	3.741170e+00
523	5.259637	4.722181e+00
271	7.275724	7.582197e+00
540	4.092051	-1.750830e+00
195	6.978811	6.427362e+00
669	4.875496	3.851888e+00
521	5.283997	5.077169e+00
143	6.593460	6.743123e+00
467	5.647817	5.426343e+00
627	5.003926	1.729936e+12
140	6.258848	6.685724e+00
736	4.623423	3.363477e+00
413	6.045757	6.424218e+00
733	4.628932	2.563447e+00
738	4.619789	2.987218e+00
483	5.537602	5.314493e+00
419	5.988007	5.230123e+00
94	4.987163	5.566434e+00
248	7.744727	6.147114e+00
57	5.669586	5.850019e+00
711	4.739929	3.104909e+00
636	5.000000	2.592893e+00
649	4.958607	4.099233e+00
163	7.853872	7.353456e+00
568	5.795880	6.309640e+00
458	5.698970	3.069745e+00
217	6.744727	4.487043e+00
188	7.180456	6.340702e+00
277	7.102373	6.745916e+00
729	4.605548	3.377584e+00

Model Performance

from sklearn.metrics import mean_squared_error, r2_score
print('Mean squared error (MSE): %.2f'
      % mean_squared_error(y_test, y_pred))
print('Coefficient of determination (R^2): %.2f'
      % r2_score(y_test, y_pred))

Mean squared error (MSE): 8716639311005450594418688.00
Coefficient of determination (R^2): -5430896914968097432010752.00

import seaborn as sns
import matplotlib.pyplot as plt

sns.set(color_codes=True)
sns.set_style("white")

ax=sns.regplot(data=CompareDFs_lr, x="Actual", y="Predicted", scatter_kws={'alpha':0.5}, color="brown")
ax.set_xlabel('Experimental pIC50', fontsize='large', fontweight='bold')
ax.set_ylabel('Predicted pIC50', fontsize='large', fontweight='bold')
ax.set_title('Linear Regression Plot')
ax.set_xlim(-10 ,10 )
ax.set_ylim(-10 ,10)
ax.figure.set_size_inches(7, 7)
plt.show

<function matplotlib.pyplot.show(close=None, block=None)>

XGboost Regressor

import xgboost as xg

xgb=xg.XGBRegressor(objective ='reg:linear', n_estimators = 200, seed = 100)
xgb.fit(X_train_scaled, y_train)
xgb2 = xgb.score(X_train_scaled, y_train)
xgb2

C:\Users\USER\anaconda3\Lib\site-packages\xgboost\core.py:160: UserWarning: [12:12:40] WARNING: C:\buildkite-agent\builds\buildkite-windows-cpu-autoscaling-group-i-0cec3277c4d9d0165-1\xgboost\xgboost-ci-windows\src\objective\regression_obj.cu:209: reg:linear is now deprecated in favor of reg:squarederror.
  warnings.warn(smsg, UserWarning)

0.9889110059926479

y_pred = xgb.predict(X_test_scaled)

Model Performance

from sklearn.metrics import mean_squared_error, r2_score
print('Mean squared error (MSE): %.2f'
      % mean_squared_error(y_test, y_pred))
print('Coefficient of determination (R^2): %.2f'
      % r2_score(y_test, y_pred))

Mean squared error (MSE): 0.57
Coefficient of determination (R^2): 0.64

CompareDFs_xg = pd.DataFrame({'Actual':y_test, 'Predicted': y_pred})
CompareDFs_xg

	Actual	Predicted
549	5.270835	5.588368
574	6.450997	7.383808
452	5.700929	5.485852
194	7.327902	6.221498
662	4.886057	3.863591
285	7.040959	7.018867
124	6.551294	7.183185
131	7.958607	7.089479
493	5.481486	5.831314
174	8.283997	4.587794
92	5.057496	5.317009
318	6.707744	6.121036
250	8.397940	8.557205
560	4.000000	5.129923
573	6.643974	6.195720
225	6.346787	6.314231
707	4.744727	4.926329
43	4.640165	5.940598
181	7.309804	7.392289
398	6.000000	6.464323
1	6.744727	5.896905
280	7.080922	7.504370
796	4.337242	3.491527
530	5.237022	5.248142
864	3.631899	3.866562
606	5.091515	5.195774
177	7.443697	7.656151
625	5.008774	4.990510
840	4.000000	4.107556
772	4.431798	4.551085
652	4.943476	4.632325
27	5.102373	5.509059
403	6.173925	6.226751
468	5.621602	5.730574
443	5.782253	5.682436
196	8.031517	7.054742
583	5.167491	5.256153
424	5.958607	5.839546
706	4.744727	5.666008
325	7.161151	6.813720
233	5.619789	5.631858
284	7.050610	5.811779
539	4.333482	4.787635
240	9.356547	5.401591
68	5.262807	6.091359
379	6.408935	6.400004
645	4.971429	5.769328
298	5.657577	6.292552
16	5.236572	5.095657
488	5.519993	4.972118
845	3.994048	4.402337
753	4.585027	4.894485
52	6.017729	5.391137
260	7.468521	8.557205
300	6.343902	7.016249
242	9.214670	9.368597
193	7.221849	6.619550
808	4.249955	4.602890
446	5.766243	5.269167
731	4.638272	4.927791
399	6.221849	4.899974
351	6.522879	4.937969
287	7.013228	6.567430
643	4.971022	6.130892
773	4.413750	4.440069
834	4.070581	4.683006
64	5.387216	4.729085
838	4.000000	4.386239
173	8.318759	7.895567
825	4.124939	5.901361
104	4.595337	4.989902
75	4.917574	5.531911
415	6.022276	4.753065
868	3.585027	3.693279
171	7.721246	7.656151
235	4.628932	5.631732
813	4.221849	4.421788
579	5.207608	5.511882
45	6.552842	5.856998
244	9.455932	8.814884
680	4.853872	4.318903
374	6.318759	6.444610
830	4.096910	4.384437
120	6.457175	6.789596
689	4.823909	4.829325
121	7.040959	6.282860
6	7.036212	7.161587
302	7.769551	7.723351
179	7.795880	7.936444
783	4.397940	4.377579
353	6.477556	5.235185
176	7.221849	6.946070
760	4.539854	5.048281
293	6.950782	6.691521
512	5.366532	4.885846
580	5.202732	6.557157
761	4.522879	3.769546
578	5.214670	4.657001
295	6.906578	6.727604
361	6.187087	6.566963
740	4.617263	4.409458
622	5.022276	4.196593
138	7.853872	7.623985
34	5.552842	5.090717
789	4.383105	4.412157
656	4.920819	5.674468
230	4.971022	5.007967
449	5.769551	5.496073
85	5.013676	5.330724
190	8.070581	7.571078
408	6.154902	6.271343
396	6.292430	4.920296
607	5.091515	5.359061
450	5.710634	6.815351
211	7.229148	5.968007
334	6.148742	5.654058
31	5.180456	5.326797
292	6.397940	6.154643
719	4.682564	4.271916
633	5.000000	4.854563
525	4.974694	5.346003
304	7.886057	7.725829
417	6.013228	4.879046
425	5.951558	5.453622
833	4.081393	4.803538
305	7.823909	7.082950
858	3.698970	3.902620
358	7.154902	5.550668
451	5.709965	5.864697
698	4.767004	5.854744
498	5.443697	5.220553
274	7.187087	7.210176
759	4.551294	5.512526
153	7.853872	8.114198
677	4.858237	4.785325
768	4.455932	4.975972
264	7.356547	8.224660
519	5.316953	4.325097
223	5.193142	4.753065
192	7.481486	7.206144
624	5.014125	5.181710
697	4.772113	4.917765
191	7.823909	7.237372
696	4.795880	4.780247
381	6.387216	6.441359
722	4.667158	4.946816
538	4.259637	5.291665
816	4.200659	3.817062
523	5.259637	4.398328
271	7.275724	7.170633
540	4.092051	5.017514
195	6.978811	6.375097
669	4.875496	4.674897
521	5.283997	5.248142
143	6.593460	6.617548
467	5.647817	5.322751
627	5.003926	4.767694
140	6.258848	5.623086
736	4.623423	4.686105
413	6.045757	5.744533
733	4.628932	4.483510
738	4.619789	4.484852
483	5.537602	5.248813
419	5.988007	5.617289
94	4.987163	5.470929
248	7.744727	5.396856
57	5.669586	6.224687
711	4.739929	5.705882
636	5.000000	4.756971
649	4.958607	4.494486
163	7.853872	7.941510
568	5.795880	6.593820
458	5.698970	5.013943
217	6.744727	6.258495
188	7.180456	7.161587
277	7.102373	6.736571
729	4.605548	3.221203

import seaborn as sns
import matplotlib.pyplot as plt

sns.set(color_codes=True)
sns.set_style("white")

ax=sns.regplot(data=CompareDFs_xg, x="Actual", y="Predicted", scatter_kws={'alpha':0.4}, color="green")
ax.set_xlabel('Experimental pIC50', fontsize='large', fontweight='bold')
ax.set_ylabel('Predicted pIC50', fontsize='large', fontweight='bold')
ax.set_title('Regression plot by XGboost')
ax.set_xlim(2,)
ax.set_ylim(2,)
ax.figure.set_size_inches(7, 7)
plt.show

<function matplotlib.pyplot.show(close=None, block=None)>

DecisionTreeRegressor

from sklearn.tree import DecisionTreeRegressor 
dtr = DecisionTreeRegressor(random_state = 350) 
dtr.fit(X_train_scaled, y_train)
dtr2=dtr.score(X_train_scaled, y_train)
dtr2

0.9897674377732472

y_pred = dtr.predict(X_test_scaled)

Model Performance

from sklearn.metrics import mean_squared_error, r2_score
print('Mean squared error (MSE): %.2f'
      % mean_squared_error(y_test, y_pred))
print('Coefficient of determination (R^2): %.2f'
      % r2_score(y_test, y_pred))

Mean squared error (MSE): 0.84
Coefficient of determination (R^2): 0.48

CompareDFs_dtr = pd.DataFrame({'Actual':y_test, 'Predicted': y_pred})
CompareDFs_dtr

	Actual	Predicted
549	5.270835	5.659556
574	6.450997	7.050610
452	5.700929	7.221849
194	7.327902	6.823909
662	4.886057	4.408935
285	7.040959	7.420216
124	6.551294	7.468521
131	7.958607	7.055517
493	5.481486	5.657577
174	8.283997	4.113002
92	5.057496	5.392545
318	6.707744	6.279014
250	8.397940	8.669094
560	4.000000	5.182435
573	6.643974	5.692504
225	6.346787	6.346787
707	4.744727	4.744727
43	4.640165	6.173925
181	7.309804	7.958607
398	6.000000	6.966576
1	6.744727	5.795880
280	7.080922	7.397940
796	4.337242	3.698970
530	5.237022	5.247928
864	3.631899	3.644548
606	5.091515	6.292430
177	7.443697	7.958607
625	5.008774	4.172631
840	4.000000	4.000000
772	4.431798	4.397940
652	4.943476	4.397940
27	5.102373	5.522879
403	6.173925	6.481486
468	5.621602	6.540608
443	5.782253	5.823909
196	8.031517	6.920819
583	5.167491	8.096910
424	5.958607	6.287350
706	4.744727	4.397940
325	7.161151	7.443697
233	5.619789	4.983803
284	7.050610	5.772113
539	4.333482	4.841638
240	9.356547	5.376751
68	5.262807	5.829738
379	6.408935	6.309804
645	4.971429	7.795880
298	5.657577	6.853872
16	5.236572	5.083490
488	5.519993	5.036684
845	3.994048	4.596879
753	4.585027	4.746420
52	6.017729	5.235077
260	7.468521	8.669094
300	6.343902	6.769551
242	9.214670	9.397940
193	7.221849	6.823909
808	4.249955	4.167491
446	5.766243	5.259637
731	4.638272	5.019542
399	6.221849	5.397940
351	6.522879	4.602060
287	7.013228	6.827804
643	4.971022	8.096910
773	4.413750	4.457050
834	4.070581	5.175224
64	5.387216	5.392049
838	4.000000	3.522879
173	8.318759	8.075721
825	4.124939	4.886057
104	4.595337	5.000000
75	4.917574	5.571865
415	6.022276	5.415995
868	3.585027	3.689412
171	7.721246	7.958607
235	4.628932	4.983803
813	4.221849	4.698970
579	5.207608	4.738024
45	6.552842	7.522879
244	9.455932	8.812626
680	4.853872	5.175224
374	6.318759	6.387216
830	4.096910	4.628194
120	6.457175	7.142668
689	4.823909	4.823909
121	7.040959	6.832683
6	7.036212	8.119186
302	7.769551	8.119186
179	7.795880	7.886057
783	4.397940	4.275724
353	6.477556	5.075721
176	7.221849	6.823909
760	4.539854	6.164944
293	6.950782	6.688246
512	5.366532	5.692504
580	5.202732	6.585027
761	4.522879	3.698970
578	5.214670	6.532221
295	6.906578	6.481486
361	6.187087	6.387216
740	4.617263	4.434348
622	5.022276	4.667158
138	7.853872	7.853872
34	5.552842	4.507240
789	4.383105	4.397940
656	4.920819	4.958607
230	4.971022	4.983803
449	5.769551	5.823909
85	5.013676	5.392545
190	8.070581	7.958607
408	6.154902	6.698970
396	6.292430	4.983803
607	5.091515	4.602060
450	5.710634	7.221849
211	7.229148	6.823909
334	6.148742	5.621602
31	5.180456	4.507240
292	6.397940	6.481486
719	4.682564	3.677781
633	5.000000	5.392049
525	4.974694	5.345727
304	7.886057	7.366532
417	6.013228	4.882397
425	5.951558	4.403623
833	4.081393	4.397940
305	7.823909	7.026872
858	3.698970	3.522879
358	7.154902	6.827804
451	5.709965	5.739929
698	4.767004	5.221849
498	5.443697	5.387216
274	7.187087	7.050610
759	4.551294	5.655079
153	7.853872	8.000000
677	4.858237	5.007005
768	4.455932	4.974694
264	7.356547	8.669094
519	5.316953	5.142668
223	5.193142	5.415995
192	7.481486	6.795880
624	5.014125	4.848937
697	4.772113	4.567031
191	7.823909	6.698970
696	4.795880	5.264401
381	6.387216	6.886057
722	4.667158	5.328827
538	4.259637	5.019542
816	4.200659	3.787280
523	5.259637	4.289629
271	7.275724	6.301030
540	4.092051	5.549751
195	6.978811	6.823909
669	4.875496	4.703335
521	5.283997	5.247928
143	6.593460	6.779892
467	5.647817	5.607303
627	5.003926	4.397940
140	6.258848	4.453457
736	4.623423	4.698970
413	6.045757	5.739929
733	4.628932	6.292430
738	4.619789	4.602060
483	5.537602	4.875170
419	5.988007	5.552377
94	4.987163	5.392545
248	7.744727	5.384050
57	5.669586	6.436448
711	4.739929	5.638272
636	5.000000	5.000000
649	4.958607	4.567031
163	7.853872	8.045757
568	5.795880	6.627088
458	5.698970	5.000000
217	6.744727	6.173925
188	7.180456	8.119186
277	7.102373	7.060481
729	4.605548	4.042297

import seaborn as sns
import matplotlib.pyplot as plt

sns.set(color_codes=True)
sns.set_style("white")

ax=sns.regplot(data=CompareDFs_dtr, x="Actual", y="Predicted", scatter_kws={'alpha':0.4}, color="green")
ax.set_xlabel('Experimental pIC50', fontsize='large', fontweight='bold')
ax.set_ylabel('Predicted pIC50', fontsize='large', fontweight='bold')
ax.set_title('Regression plot by Decision Tree')
ax.set_xlim(2, )
ax.set_ylim(2, )
ax.figure.set_size_inches(7, 7)
plt.show

<function matplotlib.pyplot.show(close=None, block=None)>

Save the model

import pickle

pickle.dump(rfg, open('mixx_rfg.pkl', 'wb'))